1-chloro-3-propan-2-ylbenzene;cumene;1-cyclopropyl-4-propan-2-ylbenzene;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;methane;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;heptakis(2-methyl-5-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;5-propan-2-yl-2-propylpyridine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;3-propan-2-yl-4-(trifluoromethyl)pyridine

C293H426ClF10N22O3+ — CID 158675892

IUPAC1-chloro-3-propan-2-ylbenzene;cumene;1-cyclopropyl-4-propan-2-ylbenzene;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;methane;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;heptakis(2-methyl-5-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;5-propan-2-yl-2-propylpyridine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;3-propan-2-yl-4-(trifluoromethyl)pyridine
SMILESC.C.C.C.C.C.C.C.C.C.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(CO)nc1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc[n+](C)c1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cnccc1C(F)(F)F.CC(C)c1ncccn1.CCCc1ccc(C(C)C)cn1.CCOc1ccc(C(C)C)cn1.CCc1ccc(C(C)C)cn1.COc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1
InChIInChI=1S/C13H14.C12H16.C11H13N.2C11H17N.2C10H11F3.C10H15NO.C10H15N.2C10H14.C9H11Cl.C9H10F3N.C9H11F.2C9H13NO.7C9H13N.C9H14N.C9H12.4C8H11N.C7H10N2.10CH4/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-9(2)10-3-5-11(6-4-10)12-7-8-12;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-5-6-11(9(3)4)12-7-10;1-4-5-11-7-6-10(8-12-11)9(2)3;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-4-12-10-6-5-9(7-11-10)8(2)3;1-4-10-6-5-9(7-11-10)8(2)3;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-4-3-5-9(10)6-8;1-6(2)7-5-13-4-3-8(7)9(10,11)12;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)8-3-4-9(6-11)10-5-8;7*1-7(2)9-5-4-8(3)10-6-9;1-8(2)9-5-4-6-10(3)7-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-3-5-9-7;;;;;;;;;;/h3-10H,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-8,12H,1-2H3;5-9H,1-4H3;6-9H,4-5H2,1-3H3;2*3-7H,1-2H3;5-8H,4H2,1-3H3;5-8H,4H2,1-3H3;2*4-8H,1-3H3;3-7H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;4-7H,1-3H3;3-5,7,11H,6H2,1-2H3;7*4-7H,1-3H3;4-8H,1-3H3;3-8H,1-2H3;4*3-7H,1-2H3;3-6H,1-2H3;10*1H4/q;;;;;;;;;;;;;;;;;;;;;;;+1;;;;;;;;;;;;;;;;
InChIKeyIENASWKWVMQPBK-UHFFFAOYSA-N
MW4530.21 g/mol
LogP89.06
Rot. Bonds39

About 1-chloro-3-propan-2-ylbenzene;cumene;1-cyclopropyl-4-propan-2-ylbenzene;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;methane;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;heptakis(2-methyl-5-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;5-propan-2-yl-2-propylpyridine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;3-propan-2-yl-4-(trifluoromethyl)pyridine

1-chloro-3-propan-2-ylbenzene;cumene;1-cyclopropyl-4-propan-2-ylbenzene;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;methane;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;heptakis(2-methyl-5-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;5-propan-2-yl-2-propylpyridine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;3-propan-2-yl-4-(trifluoromethyl)pyridine (PubChem CID 158675892) has the molecular formula C293H426ClF10N22O3+ and a molecular weight of 4530.21 g/mol. Its IUPAC name is 1-chloro-3-propan-2-ylbenzene;cumene;1-cyclopropyl-4-propan-2-ylbenzene;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;methane;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;heptakis(2-methyl-5-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;5-propan-2-yl-2-propylpyridine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;3-propan-2-yl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name1-chloro-3-propan-2-ylbenzene;cumene;1-cyclopropyl-4-propan-2-ylbenzene;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;methane;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;heptakis(2-methyl-5-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;5-propan-2-yl-2-propylpyridine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;3-propan-2-yl-4-(trifluoromethyl)pyridine
PubChem CID158675892
Molecular FormulaC293H426ClF10N22O3+
Molecular Weight4530.21 g/mol
Exact Mass4526.34
IUPAC Name1-chloro-3-propan-2-ylbenzene;cumene;1-cyclopropyl-4-propan-2-ylbenzene;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;methane;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;heptakis(2-methyl-5-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;5-propan-2-yl-2-propylpyridine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;3-propan-2-yl-4-(trifluoromethyl)pyridine
SMILESC.C.C.C.C.C.C.C.C.C.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(CO)nc1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc[n+](C)c1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cnccc1C(F)(F)F.CC(C)c1ncccn1.CCCc1ccc(C(C)C)cn1.CCOc1ccc(C(C)C)cn1.CCc1ccc(C(C)C)cn1.COc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1
InChIInChI=1S/C13H14.C12H16.C11H13N.2C11H17N.2C10H11F3.C10H15NO.C10H15N.2C10H14.C9H11Cl.C9H10F3N.C9H11F.2C9H13NO.7C9H13N.C9H14N.C9H12.4C8H11N.C7H10N2.10CH4/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-9(2)10-3-5-11(6-4-10)12-7-8-12;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-5-6-11(9(3)4)12-7-10;1-4-5-11-7-6-10(8-12-11)9(2)3;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-4-12-10-6-5-9(7-11-10)8(2)3;1-4-10-6-5-9(7-11-10)8(2)3;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-4-3-5-9(10)6-8;1-6(2)7-5-13-4-3-8(7)9(10,11)12;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)8-3-4-9(6-11)10-5-8;7*1-7(2)9-5-4-8(3)10-6-9;1-8(2)9-5-4-6-10(3)7-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-3-5-9-7;;;;;;;;;;/h3-10H,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-8,12H,1-2H3;5-9H,1-4H3;6-9H,4-5H2,1-3H3;2*3-7H,1-2H3;5-8H,4H2,1-3H3;5-8H,4H2,1-3H3;2*4-8H,1-3H3;3-7H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;4-7H,1-3H3;3-5,7,11H,6H2,1-2H3;7*4-7H,1-3H3;4-8H,1-3H3;3-8H,1-2H3;4*3-7H,1-2H3;3-6H,1-2H3;10*1H4/q;;;;;;;;;;;;;;;;;;;;;;;+1;;;;;;;;;;;;;;;;
InChIKeyIENASWKWVMQPBK-UHFFFAOYSA-N
XLogP89.06
TPSA316.16 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds39
Heavy Atoms329
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004530.21
LogP ≤ 589.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Analyze 1-chloro-3-propan-2-ylbenzene;cumene;1-cyclopropyl-4-propan-2-ylbenzene;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;methane;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;heptakis(2-methyl-5-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;5-propan-2-yl-2-propylpyridine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;3-propan-2-yl-4-(trifluoromethyl)pyridine with MolForge

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Related Compounds

7-[2-(3-Chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
CID 157416471
7-[2-(3-Chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
CID 158360308
1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;2-cyclopropyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;methane;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylnaphthalene;5-methyl-2-propan-2-ylphenol;undecakis(2-methyl-5-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159388796
7-[2-(3-Chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(3-chlorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
CID 159394529
1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;2-cyclopropyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;bis(1-methyl-3-propan-2-ylbenzene);undecakis(2-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159514748
1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;2-cyclopropyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);undecakis(2-methyl-5-propan-2-ylpyridine);1-oxido-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 161321615
6-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine-2-carbonitrile;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine;N-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]morpholine
CID 158938647
6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine;N-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-2-amine
CID 159661417
6-(3-chloro-2-methoxy-4-pyridinyl)-4-N-methylpyrimidine-2,4-diamine;6-(3-chlorophenyl)-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-phenylpropyl)pyrimidin-2-amine;6-(1H-indol-3-yl)-4-N-methylpyrimidine-2,4-diamine;6-phenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 159702911
6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine;N-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-2-amine
CID 159891627

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-propan-2-ylbenzene;cumene;1-cyclopropyl-4-propan-2-ylbenzene;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;methane;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;heptakis(2-methyl-5-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;5-propan-2-yl-2-propylpyridine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;3-propan-2-yl-4-(trifluoromethyl)pyridine?
The IUPAC name of 1-chloro-3-propan-2-ylbenzene;cumene;1-cyclopropyl-4-propan-2-ylbenzene;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;methane;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;heptakis(2-methyl-5-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;5-propan-2-yl-2-propylpyridine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;3-propan-2-yl-4-(trifluoromethyl)pyridine (CID 158675892) is 1-chloro-3-propan-2-ylbenzene;cumene;1-cyclopropyl-4-propan-2-ylbenzene;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;methane;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;heptakis(2-methyl-5-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;5-propan-2-yl-2-propylpyridine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;3-propan-2-yl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 1-chloro-3-propan-2-ylbenzene;cumene;1-cyclopropyl-4-propan-2-ylbenzene;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;methane;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;heptakis(2-methyl-5-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;5-propan-2-yl-2-propylpyridine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;3-propan-2-yl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 1-chloro-3-propan-2-ylbenzene;cumene;1-cyclopropyl-4-propan-2-ylbenzene;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;methane;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;heptakis(2-methyl-5-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;5-propan-2-yl-2-propylpyridine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;3-propan-2-yl-4-(trifluoromethyl)pyridine is C.C.C.C.C.C.C.C.C.C.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(CO)nc1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc[n+](C)c1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cnccc1C(F)(F)F.CC(C)c1ncccn1.CCCc1ccc(C(C)C)cn1.CCOc1ccc(C(C)C)cn1.CCc1ccc(C(C)C)cn1.COc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1.
What is the InChIKey of 1-chloro-3-propan-2-ylbenzene;cumene;1-cyclopropyl-4-propan-2-ylbenzene;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;methane;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;heptakis(2-methyl-5-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;5-propan-2-yl-2-propylpyridine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;3-propan-2-yl-4-(trifluoromethyl)pyridine?
The InChIKey is IENASWKWVMQPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14.C12H16.C11H13N.2C11H17N.2C10H11F3.C10H15NO.C10H15N.2C10H14.C9H11Cl.C9H10F3N.C9H11F.2C9H13NO.7C9H13N.C9H14N.C9H12.4C8H11N.C7H10N2.10CH4/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-9(2)10-3-5-11(6-4-10)12-7-8-12;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-5-6-11(9(3)4)12-7-10;1-4-5-11-7-6-10(8-12-11)9(2)3;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-4-12-10-6-5-9(7-11-10)8(2)3;1-4-10-6-5-9(7-11-10)8(2)3;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-4-3-5-9(10)6-8;1-6(2)7-5-13-4-3-8(7)9(10,11)12;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)8-3-4-9(6-11)10-5-8;7*1-7(2)9-5-4-8(3)10-6-9;1-8(2)9-5-4-6-10(3)7-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-3-5-9-7;;;;;;;;;;/h3-10H,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-8,12H,1-2H3;5-9H,1-4H3;6-9H,4-5H2,1-3H3;2*3-7H,1-2H3;5-8H,4H2,1-3H3;5-8H,4H2,1-3H3;2*4-8H,1-3H3;3-7H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;4-7H,1-3H3;3-5,7,11H,6H2,1-2H3;7*4-7H,1-3H3;4-8H,1-3H3;3-8H,1-2H3;4*3-7H,1-2H3;3-6H,1-2H3;10*1H4/q;;;;;;;;;;;;;;;;;;;;;;;+1;;;;;;;;;;;;;;;;.
What are the key properties of 1-chloro-3-propan-2-ylbenzene;cumene;1-cyclopropyl-4-propan-2-ylbenzene;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;methane;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;heptakis(2-methyl-5-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;5-propan-2-yl-2-propylpyridine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;3-propan-2-yl-4-(trifluoromethyl)pyridine?
1-chloro-3-propan-2-ylbenzene;cumene;1-cyclopropyl-4-propan-2-ylbenzene;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;methane;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;heptakis(2-methyl-5-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;5-propan-2-yl-2-propylpyridine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;3-propan-2-yl-4-(trifluoromethyl)pyridine has a molecular weight of 4530.21 g/mol, XLogP of 89.06, 39 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-propan-2-ylbenzene;cumene;1-cyclopropyl-4-propan-2-ylbenzene;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;methane;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;heptakis(2-methyl-5-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;5-propan-2-yl-2-propylpyridine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;3-propan-2-yl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 158675892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).