5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine;5-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine;5-pyrrol-1-ylquinazoline-2,4-diamine;5-[[4-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine

C90H83ClF3N25O6 — CID 161105464

IUPAC5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine;5-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine;5-pyrrol-1-ylquinazoline-2,4-diamine;5-[[4-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine
SMILESCN(C)c1cccc(Oc2cccc3nc(N)nc(N)c23)c1.COc1ccc(Oc2cccc3ncnc(N)c23)cc1.Cc1ccc(COc2cccc3nc(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
InChIInChI=1S/C16H13F3N4O.C16H17N5O.C16H16N4O.C15H13ClN4O.C15H13N3O2.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;1-21(2)10-5-3-6-11(9-10)22-13-8-4-7-12-14(13)15(17)20-16(18)19-12;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;1-19-10-5-7-11(8-6-10)20-13-4-2-3-12-14(13)15(16)18-9-17-12;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);3-9H,1-2H3,(H4,17,18,19,20);2-8H,9H2,1H3,(H4,17,18,19,20);1-7H,8H2,(H4,17,18,19,20);2-9H,1H3,(H2,16,17,18);1-7H,(H4,13,14,15,16)
InChIKeyUIZJWLMXNCODJH-UHFFFAOYSA-N
MW1703.27 g/mol
LogP16.35
Rot. Bonds16

About 5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine;5-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;5-[(4-methylphenyl)methoxy]quinazoline-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-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine;5-pyrrol-1-ylquinazoline-2,4-diamine;5-[[4-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine (PubChem CID 161105464) has the molecular formula C90H83ClF3N25O6 and a molecular weight of 1703.27 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine;5-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;5-[(4-methylphenyl)methoxy]quinazoline-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-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine;5-pyrrol-1-ylquinazoline-2,4-diamine;5-[[4-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine
PubChem CID161105464
Molecular FormulaC90H83ClF3N25O6
Molecular Weight1703.27 g/mol
Exact Mass1701.66
IUPAC Name5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine;5-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine;5-pyrrol-1-ylquinazoline-2,4-diamine;5-[[4-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine
SMILESCN(C)c1cccc(Oc2cccc3nc(N)nc(N)c23)c1.COc1ccc(Oc2cccc3ncnc(N)c23)cc1.Cc1ccc(COc2cccc3nc(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
InChIInChI=1S/C16H13F3N4O.C16H17N5O.C16H16N4O.C15H13ClN4O.C15H13N3O2.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;1-21(2)10-5-3-6-11(9-10)22-13-8-4-7-12-14(13)15(17)20-16(18)19-12;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;1-19-10-5-7-11(8-6-10)20-13-4-2-3-12-14(13)15(16)18-9-17-12;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);3-9H,1-2H3,(H4,17,18,19,20);2-8H,9H2,1H3,(H4,17,18,19,20);1-7H,8H2,(H4,17,18,19,20);2-9H,1H3,(H2,16,17,18);1-7H,(H4,13,14,15,16)
InChIKeyUIZJWLMXNCODJH-UHFFFAOYSA-N
XLogP16.35
TPSA504.45 Ų
H-Bond Donors11
H-Bond Acceptors31
Rotatable Bonds16
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001703.27
LogP ≤ 516.35
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1031

Analyze 5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine;5-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;5-[(4-methylphenyl)methoxy]quinazoline-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

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
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
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
Tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;4-tert-butyl-2-imidazol-1-ylquinazoline;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 159614604
2-chloro-7-[4-chloro-2-(trifluoromethyl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine;7-[4-chloro-2-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;3-methoxy-4-(2-methyl-4-pyridinyl)aniline
CID 159932530
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-[[4-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine
CID 160172417
5-[(4-Chlorophenyl)methoxy]quinazoline-2,4-diamine;5-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-fluorophenoxy)quinazolin-4-amine;5-(4-methoxyphenoxy)quinazolin-4-amine;5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine;2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-amine
CID 160468803
Bis(5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine);5-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-amine
CID 160984236
7-chloro-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-fluoro-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methoxy-4-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine
CID 161604209
6-[2-(5-Chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-(1-pyridin-4-ylpiperidin-4-yl)oxyquinazoline;6-[2-(3-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
CID 161879221
5-Chloro-4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-2-methoxypyridine;5-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-2,4-dimethoxypyrimidine;4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-2-methoxypyridine;5-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]pyridin-2-amine;3-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]quinoline
CID 161995766

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine;5-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;5-[(4-methylphenyl)methoxy]quinazoline-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-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine;5-pyrrol-1-ylquinazoline-2,4-diamine;5-[[4-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine (CID 161105464) is 5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine;5-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;5-[(4-methylphenyl)methoxy]quinazoline-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-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;5-[(4-methylphenyl)methoxy]quinazoline-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-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine;5-pyrrol-1-ylquinazoline-2,4-diamine;5-[[4-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine is CN(C)c1cccc(Oc2cccc3nc(N)nc(N)c23)c1.COc1ccc(Oc2cccc3ncnc(N)c23)cc1.Cc1ccc(COc2cccc3nc(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.
What is the InChIKey of 5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine;5-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine;5-pyrrol-1-ylquinazoline-2,4-diamine;5-[[4-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine?
The InChIKey is UIZJWLMXNCODJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O.C16H17N5O.C16H16N4O.C15H13ClN4O.C15H13N3O2.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;1-21(2)10-5-3-6-11(9-10)22-13-8-4-7-12-14(13)15(17)20-16(18)19-12;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;1-19-10-5-7-11(8-6-10)20-13-4-2-3-12-14(13)15(16)18-9-17-12;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);3-9H,1-2H3,(H4,17,18,19,20);2-8H,9H2,1H3,(H4,17,18,19,20);1-7H,8H2,(H4,17,18,19,20);2-9H,1H3,(H2,16,17,18);1-7H,(H4,13,14,15,16).
What are the key properties of 5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine;5-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;5-[(4-methylphenyl)methoxy]quinazoline-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-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine;5-pyrrol-1-ylquinazoline-2,4-diamine;5-[[4-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine has a molecular weight of 1703.27 g/mol, XLogP of 16.35, 16 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine;5-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine;5-pyrrol-1-ylquinazoline-2,4-diamine;5-[[4-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine is sourced from PubChem (CID 161105464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).