5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine;5-(4-fluorophenoxy)quinazoline-2,4-diamine;5-(4-methylphenoxy)quinazoline-2,4-diamine;5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine;5-phenoxyquinazoline-2,4-diamine;5-pyrrol-1-ylquinazoline-2,4-diamine;5-[[4-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine

C102H90ClF4N29O6 — CID 158862461

IUPAC5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine;5-(4-fluorophenoxy)quinazoline-2,4-diamine;5-(4-methylphenoxy)quinazoline-2,4-diamine;5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine;5-phenoxyquinazoline-2,4-diamine;5-pyrrol-1-ylquinazoline-2,4-diamine;5-[[4-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine
SMILESCc1ccc(COc2cccc3nc(N)nc(N)c23)cc1.Cc1ccc(Oc2cccc3nc(N)nc(N)c23)cc1.Nc1nc(N)c2c(-n3cccc3)cccc2n1.Nc1nc(N)c2c(OCc3ccc(C(F)(F)F)cc3)cccc2n1.Nc1nc(N)c2c(OCc3ccc(Cl)cc3)cccc2n1.Nc1nc(N)c2c(Oc3ccc(F)cc3)cccc2n1.Nc1nc(N)c2c(Oc3ccccc3)cccc2n1
InChIInChI=1S/C16H13F3N4O.C16H16N4O.C15H13ClN4O.C15H14N4O.C14H11FN4O.C14H12N4O.C12H11N5/c17-16(18,19)10-6-4-9(5-7-10)8-24-12-3-1-2-11-13(12)14(20)23-15(21)22-11;1-10-5-7-11(8-6-10)9-21-13-4-2-3-12-14(13)15(17)20-16(18)19-12;16-10-6-4-9(5-7-10)8-21-12-3-1-2-11-13(12)14(17)20-15(18)19-11;1-9-5-7-10(8-6-9)20-12-4-2-3-11-13(12)14(16)19-15(17)18-11;15-8-4-6-9(7-5-8)20-11-3-1-2-10-12(11)13(16)19-14(17)18-10;15-13-12-10(17-14(16)18-13)7-4-8-11(12)19-9-5-2-1-3-6-9;13-11-10-8(15-12(14)16-11)4-3-5-9(10)17-6-1-2-7-17/h1-7H,8H2,(H4,20,21,22,23);2-8H,9H2,1H3,(H4,17,18,19,20);1-7H,8H2,(H4,17,18,19,20);2-8H,1H3,(H4,16,17,18,19);1-7H,(H4,16,17,18,19);1-8H,(H4,15,16,17,18);1-7H,(H4,13,14,15,16)
InChIKeyJAUXFSDZXYLFFR-UHFFFAOYSA-N
MW1929.48 g/mol
LogP18.89
Rot. Bonds16

About 5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine;5-(4-fluorophenoxy)quinazoline-2,4-diamine;5-(4-methylphenoxy)quinazoline-2,4-diamine;5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine;5-phenoxyquinazoline-2,4-diamine;5-pyrrol-1-ylquinazoline-2,4-diamine;5-[[4-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine

5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine;5-(4-fluorophenoxy)quinazoline-2,4-diamine;5-(4-methylphenoxy)quinazoline-2,4-diamine;5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine;5-phenoxyquinazoline-2,4-diamine;5-pyrrol-1-ylquinazoline-2,4-diamine;5-[[4-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine (PubChem CID 158862461) has the molecular formula C102H90ClF4N29O6 and a molecular weight of 1929.48 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine;5-(4-fluorophenoxy)quinazoline-2,4-diamine;5-(4-methylphenoxy)quinazoline-2,4-diamine;5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine;5-phenoxyquinazoline-2,4-diamine;5-pyrrol-1-ylquinazoline-2,4-diamine;5-[[4-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine;5-(4-fluorophenoxy)quinazoline-2,4-diamine;5-(4-methylphenoxy)quinazoline-2,4-diamine;5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine;5-phenoxyquinazoline-2,4-diamine;5-pyrrol-1-ylquinazoline-2,4-diamine;5-[[4-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine
PubChem CID158862461
Molecular FormulaC102H90ClF4N29O6
Molecular Weight1929.48 g/mol
Exact Mass1927.73
IUPAC Name5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine;5-(4-fluorophenoxy)quinazoline-2,4-diamine;5-(4-methylphenoxy)quinazoline-2,4-diamine;5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine;5-phenoxyquinazoline-2,4-diamine;5-pyrrol-1-ylquinazoline-2,4-diamine;5-[[4-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine
SMILESCc1ccc(COc2cccc3nc(N)nc(N)c23)cc1.Cc1ccc(Oc2cccc3nc(N)nc(N)c23)cc1.Nc1nc(N)c2c(-n3cccc3)cccc2n1.Nc1nc(N)c2c(OCc3ccc(C(F)(F)F)cc3)cccc2n1.Nc1nc(N)c2c(OCc3ccc(Cl)cc3)cccc2n1.Nc1nc(N)c2c(Oc3ccc(F)cc3)cccc2n1.Nc1nc(N)c2c(Oc3ccccc3)cccc2n1
InChIInChI=1S/C16H13F3N4O.C16H16N4O.C15H13ClN4O.C15H14N4O.C14H11FN4O.C14H12N4O.C12H11N5/c17-16(18,19)10-6-4-9(5-7-10)8-24-12-3-1-2-11-13(12)14(20)23-15(21)22-11;1-10-5-7-11(8-6-10)9-21-13-4-2-3-12-14(13)15(17)20-16(18)19-12;16-10-6-4-9(5-7-10)8-21-12-3-1-2-11-13(12)14(17)20-15(18)19-11;1-9-5-7-10(8-6-9)20-12-4-2-3-11-13(12)14(16)19-15(17)18-11;15-8-4-6-9(7-5-8)20-11-3-1-2-10-12(11)13(16)19-14(17)18-10;15-13-12-10(17-14(16)18-13)7-4-8-11(12)19-9-5-2-1-3-6-9;13-11-10-8(15-12(14)16-11)4-3-5-9(10)17-6-1-2-7-17/h1-7H,8H2,(H4,20,21,22,23);2-8H,9H2,1H3,(H4,17,18,19,20);1-7H,8H2,(H4,17,18,19,20);2-8H,1H3,(H4,16,17,18,19);1-7H,(H4,16,17,18,19);1-8H,(H4,15,16,17,18);1-7H,(H4,13,14,15,16)
InChIKeyJAUXFSDZXYLFFR-UHFFFAOYSA-N
XLogP18.89
TPSA605.05 Ų
H-Bond Donors14
H-Bond Acceptors35
Rotatable Bonds16
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001929.48
LogP ≤ 518.89
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1035

Analyze 5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine;5-(4-fluorophenoxy)quinazoline-2,4-diamine;5-(4-methylphenoxy)quinazoline-2,4-diamine;5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine;5-phenoxyquinazoline-2,4-diamine;5-pyrrol-1-ylquinazoline-2,4-diamine;5-[[4-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine with MolForge

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine
CID 117967705
1,5-Bis[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-5-yl]oxypiperidin-1-yl]pentan-3-one
CID 91183226
4-[2-(1-chloro-6-methylisoquinolin-5-yl)oxypyridin-3-yl]-N-methylpyrimidin-2-amine;6-methyl-5-[3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl]oxy-N-[3-(trifluoromethoxy)phenyl]isoquinolin-1-amine
CID 157059233
2-(5-chloro-2-fluorophenyl)-4-imidazo[4,5-c]pyridin-1-ylquinoline;2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[7-(trifluoromethyl)quinolin-4-yl]quinolin-4-amine;2-phenyl-N-pyridin-4-ylquinolin-4-amine
CID 157084413
7-Chloro-4-methoxyquinoline;4,7-dimethoxyquinoline;methane;4-methoxy-7-methylquinolin-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline
CID 157106217
N-(3-chloro-4-fluorophenyl)-6-methyl-5-[[3-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)-2-pyridinyl]methyl]isoquinolin-1-amine;N-[4-fluoro-3-(trifluoromethoxy)phenyl]-6-methyl-5-[[3-[9-(oxan-2-yl)purin-6-yl]-2-pyridinyl]methyl]isoquinolin-1-amine
CID 157150736
7-Chloro-4-propan-2-ylquinazoline;8-chloro-4-propan-2-ylquinazoline;4-(difluoromethyl)-6-propan-2-ylpyrimidine;6,7-difluoro-4-propan-2-ylquinazoline;2,4-dimethyl-6-propan-2-ylpyrimidine;7-fluoro-2-methyl-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinazoline;6-fluoro-4-propan-2-ylquinazoline;7-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;7-methoxy-4-propan-2-ylquinazoline;2-methyl-4-propan-2-ylquinazoline;7-methyl-4-propan-2-ylquinazoline;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-propan-2-yl-6-pyrazol-1-ylpyrimidine;4-propan-2-ylpyrimidine;4-propan-2-ylquinazoline;4-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-(trifluoromethyl)quinazoline;4-propan-2-yl-8-(trifluoromethyl)quinazoline
CID 157945443
7-(6-Chloropyrimidin-4-yl)oxyquinoline;7-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]oxyquinoline
CID 157974496
2-(5-chloro-2-fluorophenyl)-4-imidazo[4,5-c]pyridin-1-ylquinoline;2-(5-chloro-2-fluorophenyl)-4-[2-(methoxymethyl)imidazo[4,5-c]pyridin-1-yl]quinoline;2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[7-(trifluoromethyl)quinolin-4-yl]quinolin-4-amine
CID 158107395
Tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline
CID 158231344
7-Chloro-4-propan-2-ylquinazoline;8-chloro-4-propan-2-ylquinazoline;4-(difluoromethyl)-6-propan-2-ylpyrimidine;6,7-difluoro-4-propan-2-ylquinazoline;bis(2,4-dimethyl-6-propan-2-ylpyrimidine);5-fluoro-4-propan-2-ylquinazoline;6-fluoro-4-propan-2-ylquinazoline;bis(7-fluoro-4-propan-2-ylquinazoline);8-fluoro-4-propan-2-ylquinazoline;7-methoxy-4-propan-2-ylquinazoline;2-methyl-4-propan-2-ylpyrimidine;bis(2-methyl-4-propan-2-ylquinazoline);7-methyl-4-propan-2-ylquinazoline;4-propan-2-yl-6-pyrazol-1-ylpyrimidine;4-propan-2-ylpyrimidine;4-propan-2-ylquinazoline;4-propan-2-yl-8-(trifluoromethyl)quinazoline
CID 158425202
N-[2-[4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethyl]-5,8-difluoroquinazolin-4-amine;5,8-difluoro-N-[2-[4-[2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethyl]quinazolin-4-amine
CID 159011878

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine;5-(4-fluorophenoxy)quinazoline-2,4-diamine;5-(4-methylphenoxy)quinazoline-2,4-diamine;5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine;5-phenoxyquinazoline-2,4-diamine;5-pyrrol-1-ylquinazoline-2,4-diamine;5-[[4-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine?
The IUPAC name of 5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine;5-(4-fluorophenoxy)quinazoline-2,4-diamine;5-(4-methylphenoxy)quinazoline-2,4-diamine;5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine;5-phenoxyquinazoline-2,4-diamine;5-pyrrol-1-ylquinazoline-2,4-diamine;5-[[4-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine (CID 158862461) is 5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine;5-(4-fluorophenoxy)quinazoline-2,4-diamine;5-(4-methylphenoxy)quinazoline-2,4-diamine;5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine;5-phenoxyquinazoline-2,4-diamine;5-pyrrol-1-ylquinazoline-2,4-diamine;5-[[4-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine.
What is the SMILES notation for 5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine;5-(4-fluorophenoxy)quinazoline-2,4-diamine;5-(4-methylphenoxy)quinazoline-2,4-diamine;5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine;5-phenoxyquinazoline-2,4-diamine;5-pyrrol-1-ylquinazoline-2,4-diamine;5-[[4-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine?
The canonical SMILES for 5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine;5-(4-fluorophenoxy)quinazoline-2,4-diamine;5-(4-methylphenoxy)quinazoline-2,4-diamine;5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine;5-phenoxyquinazoline-2,4-diamine;5-pyrrol-1-ylquinazoline-2,4-diamine;5-[[4-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine is Cc1ccc(COc2cccc3nc(N)nc(N)c23)cc1.Cc1ccc(Oc2cccc3nc(N)nc(N)c23)cc1.Nc1nc(N)c2c(-n3cccc3)cccc2n1.Nc1nc(N)c2c(OCc3ccc(C(F)(F)F)cc3)cccc2n1.Nc1nc(N)c2c(OCc3ccc(Cl)cc3)cccc2n1.Nc1nc(N)c2c(Oc3ccc(F)cc3)cccc2n1.Nc1nc(N)c2c(Oc3ccccc3)cccc2n1.
What is the InChIKey of 5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine;5-(4-fluorophenoxy)quinazoline-2,4-diamine;5-(4-methylphenoxy)quinazoline-2,4-diamine;5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine;5-phenoxyquinazoline-2,4-diamine;5-pyrrol-1-ylquinazoline-2,4-diamine;5-[[4-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine?
The InChIKey is JAUXFSDZXYLFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O.C16H16N4O.C15H13ClN4O.C15H14N4O.C14H11FN4O.C14H12N4O.C12H11N5/c17-16(18,19)10-6-4-9(5-7-10)8-24-12-3-1-2-11-13(12)14(20)23-15(21)22-11;1-10-5-7-11(8-6-10)9-21-13-4-2-3-12-14(13)15(17)20-16(18)19-12;16-10-6-4-9(5-7-10)8-21-12-3-1-2-11-13(12)14(17)20-15(18)19-11;1-9-5-7-10(8-6-9)20-12-4-2-3-11-13(12)14(16)19-15(17)18-11;15-8-4-6-9(7-5-8)20-11-3-1-2-10-12(11)13(16)19-14(17)18-10;15-13-12-10(17-14(16)18-13)7-4-8-11(12)19-9-5-2-1-3-6-9;13-11-10-8(15-12(14)16-11)4-3-5-9(10)17-6-1-2-7-17/h1-7H,8H2,(H4,20,21,22,23);2-8H,9H2,1H3,(H4,17,18,19,20);1-7H,8H2,(H4,17,18,19,20);2-8H,1H3,(H4,16,17,18,19);1-7H,(H4,16,17,18,19);1-8H,(H4,15,16,17,18);1-7H,(H4,13,14,15,16).
What are the key properties of 5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine;5-(4-fluorophenoxy)quinazoline-2,4-diamine;5-(4-methylphenoxy)quinazoline-2,4-diamine;5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine;5-phenoxyquinazoline-2,4-diamine;5-pyrrol-1-ylquinazoline-2,4-diamine;5-[[4-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine?
5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine;5-(4-fluorophenoxy)quinazoline-2,4-diamine;5-(4-methylphenoxy)quinazoline-2,4-diamine;5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine;5-phenoxyquinazoline-2,4-diamine;5-pyrrol-1-ylquinazoline-2,4-diamine;5-[[4-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine has a molecular weight of 1929.48 g/mol, XLogP of 18.89, 16 rotatable bonds, 14 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine;5-(4-fluorophenoxy)quinazoline-2,4-diamine;5-(4-methylphenoxy)quinazoline-2,4-diamine;5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine;5-phenoxyquinazoline-2,4-diamine;5-pyrrol-1-ylquinazoline-2,4-diamine;5-[[4-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine is sourced from PubChem (CID 158862461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).