(3R)-4-[[2-(2-hydroxy-5-methylphenyl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid;2-[4-[[(4R)-4-(hydroxymethyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(4R)-4-(3-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(4R)-4-(4-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol

C92H94N16O9 — CID 159302276

IUPAC(3R)-4-[[2-(2-hydroxy-5-methylphenyl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid;2-[4-[[(4R)-4-(hydroxymethyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(4R)-4-(3-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(4R)-4-(4-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol
SMILESCOc1ccc([C@@H]2CNCC2Nc2nc(-c3cc(C)ccc3O)nc3ccccc23)cc1.COc1cccc([C@@H]2CNCC2Nc2nc(-c3cc(C)ccc3O)nc3ccccc23)c1.Cc1ccc(O)c(-c2nc(NC3CNC[C@H]3C(=O)O)c3ccccc3n2)c1.Cc1ccc(O)c(-c2nc(NC3CNC[C@H]3CO)c3ccccc3n2)c1
InChIInChI=1S/2C26H26N4O2.C20H20N4O3.C20H22N4O2/c1-16-10-11-24(31)20(12-16)26-28-22-9-4-3-8-19(22)25(30-26)29-23-15-27-14-21(23)17-6-5-7-18(13-17)32-2;1-16-7-12-24(31)20(13-16)26-28-22-6-4-3-5-19(22)25(30-26)29-23-15-27-14-21(23)17-8-10-18(32-2)11-9-17;1-11-6-7-17(25)13(8-11)19-22-15-5-3-2-4-12(15)18(24-19)23-16-10-21-9-14(16)20(26)27;1-12-6-7-18(26)15(8-12)20-22-16-5-3-2-4-14(16)19(24-20)23-17-10-21-9-13(17)11-25/h2*3-13,21,23,27,31H,14-15H2,1-2H3,(H,28,29,30);2-8,14,16,21,25H,9-10H2,1H3,(H,26,27)(H,22,23,24);2-8,13,17,21,25-26H,9-11H2,1H3,(H,22,23,24)/t2*21-,23?;14-,16?;13-,17?/m0010/s1
InChIKeyLBMFUVNJLUGADN-NYQVDHPDSA-N
MW1567.87 g/mol
LogP13.67
Rot. Bonds18

About (3R)-4-[[2-(2-hydroxy-5-methylphenyl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid;2-[4-[[(4R)-4-(hydroxymethyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(4R)-4-(3-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(4R)-4-(4-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol

(3R)-4-[[2-(2-hydroxy-5-methylphenyl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid;2-[4-[[(4R)-4-(hydroxymethyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(4R)-4-(3-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(4R)-4-(4-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol (PubChem CID 159302276) has the molecular formula C92H94N16O9 and a molecular weight of 1567.87 g/mol. Its IUPAC name is (3R)-4-[[2-(2-hydroxy-5-methylphenyl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid;2-[4-[[(4R)-4-(hydroxymethyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(4R)-4-(3-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(4R)-4-(4-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol.

Molecular Properties

Compound Name(3R)-4-[[2-(2-hydroxy-5-methylphenyl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid;2-[4-[[(4R)-4-(hydroxymethyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(4R)-4-(3-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(4R)-4-(4-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol
PubChem CID159302276
Molecular FormulaC92H94N16O9
Molecular Weight1567.87 g/mol
Exact Mass1566.74
IUPAC Name(3R)-4-[[2-(2-hydroxy-5-methylphenyl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid;2-[4-[[(4R)-4-(hydroxymethyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(4R)-4-(3-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(4R)-4-(4-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol
SMILESCOc1ccc([C@@H]2CNCC2Nc2nc(-c3cc(C)ccc3O)nc3ccccc23)cc1.COc1cccc([C@@H]2CNCC2Nc2nc(-c3cc(C)ccc3O)nc3ccccc23)c1.Cc1ccc(O)c(-c2nc(NC3CNC[C@H]3C(=O)O)c3ccccc3n2)c1.Cc1ccc(O)c(-c2nc(NC3CNC[C@H]3CO)c3ccccc3n2)c1
InChIInChI=1S/2C26H26N4O2.C20H20N4O3.C20H22N4O2/c1-16-10-11-24(31)20(12-16)26-28-22-9-4-3-8-19(22)25(30-26)29-23-15-27-14-21(23)17-6-5-7-18(13-17)32-2;1-16-7-12-24(31)20(13-16)26-28-22-6-4-3-5-19(22)25(30-26)29-23-15-27-14-21(23)17-8-10-18(32-2)11-9-17;1-11-6-7-17(25)13(8-11)19-22-15-5-3-2-4-12(15)18(24-19)23-16-10-21-9-14(16)20(26)27;1-12-6-7-18(26)15(8-12)20-22-16-5-3-2-4-14(16)19(24-20)23-17-10-21-9-13(17)11-25/h2*3-13,21,23,27,31H,14-15H2,1-2H3,(H,28,29,30);2-8,14,16,21,25H,9-10H2,1H3,(H,26,27)(H,22,23,24);2-8,13,17,21,25-26H,9-11H2,1H3,(H,22,23,24)/t2*21-,23?;14-,16?;13-,17?/m0010/s1
InChIKeyLBMFUVNJLUGADN-NYQVDHPDSA-N
XLogP13.67
TPSA356.27 Ų
H-Bond Donors14
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001567.87
LogP ≤ 513.67
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1024

Analyze (3R)-4-[[2-(2-hydroxy-5-methylphenyl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid;2-[4-[[(4R)-4-(hydroxymethyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(4R)-4-(3-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(4R)-4-(4-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol with MolForge

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Related Compounds

2-[4-[[(4R)-4-(3-chlorophenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(3S,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[6-methoxy-7-(2-methoxyethoxy)-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[6-methoxy-7-(2-methoxyethoxy)-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol
CID 157975547
N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinolin-2-ylpyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinolin-2-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinolin-2-ylpyrrolidine-3-carboxamide;1-quinolin-2-ylpyrrolidine-3-carboxylic acid
CID 158667026
4-tert-butyl-2-[4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;methyl (2S,4R)-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxylate;4-methyl-2-[4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;4-propan-2-yl-2-[4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol
CID 159000430
2-[4-[[(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(3S,4R)-4-(2-hydroxypropan-2-yl)pyrrolidin-3-yl]amino]-6,7-dimethylquinazolin-2-yl]-4-methylphenol;2-[4-[[(3S,4R)-4-(2-hydroxypropan-2-yl)pyrrolidin-3-yl]amino]-7-(2-methoxyethoxy)-6-methylquinazolin-2-yl]-4-methylphenol
CID 160029210
methyl (2R,4S)-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxylate;methyl (2R,4R)-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxylate;4-methyl-2-[4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;2-[7-phenyl-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol
CID 160278137
4-[(4-Amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-methylphenol;2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenol;3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenol;4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenol
CID 160355216
bis(4-methyl-2-[4-[methyl-[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol);2-[4-[methyl-[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;bis(4-methyl-2-[4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol)
CID 160375791
(2R,4S)-N-benzyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide;2-[4-[[(3S,5R)-5-[1-(dimethylamino)ethenyl]pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;2-[4-[[(3S,5R)-5-[1-(methylamino)ethenyl]pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;4-methyl-2-[4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol
CID 160595573
ethyl (3R)-4-[[2-(2-hydroxy-5-methylphenyl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylate;2-[7-[(E)-3-methoxyprop-1-enyl]-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;2-[7-(3-methoxypropyl)-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;2-[7-methoxy-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol
CID 160811846
2-[6,7-bis(2-methoxyethoxy)-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;4-cyclopenta-1,4-dien-1-yl-2-[4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;2-[6-(3-hydroxy-3-methylbutyl)-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[7-methoxy-6-(2-methoxyethoxy)-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-(2H-pyrrol-5-yl)phenol
CID 160856290
ethyl (3S,4R)-4-[[2-(2-hydroxy-5-methylphenyl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylate;ethyl (3R,4S)-4-[[2-(2-hydroxy-5-methylphenyl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylate;2-[4-[[(3S,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]amino]-7-methoxyquinazolin-2-yl]-4-methylphenol;2-[4-[[(3S,5R)-5-(2-hydroxypropan-2-yl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol
CID 161178321
2-[7-(3-hydroxy-3-methylbut-1-ynyl)-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[6-(2-methoxyethoxy)-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[7-(2-methoxyethoxy)-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[6-(2-methoxyethoxy)-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;2-[4-[[(4R)-4-(2-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol
CID 161217158

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[[2-(2-hydroxy-5-methylphenyl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid;2-[4-[[(4R)-4-(hydroxymethyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(4R)-4-(3-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(4R)-4-(4-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol?
The IUPAC name of (3R)-4-[[2-(2-hydroxy-5-methylphenyl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid;2-[4-[[(4R)-4-(hydroxymethyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(4R)-4-(3-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(4R)-4-(4-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol (CID 159302276) is (3R)-4-[[2-(2-hydroxy-5-methylphenyl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid;2-[4-[[(4R)-4-(hydroxymethyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(4R)-4-(3-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(4R)-4-(4-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol.
What is the SMILES notation for (3R)-4-[[2-(2-hydroxy-5-methylphenyl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid;2-[4-[[(4R)-4-(hydroxymethyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(4R)-4-(3-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(4R)-4-(4-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol?
The canonical SMILES for (3R)-4-[[2-(2-hydroxy-5-methylphenyl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid;2-[4-[[(4R)-4-(hydroxymethyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(4R)-4-(3-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(4R)-4-(4-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol is COc1ccc([C@@H]2CNCC2Nc2nc(-c3cc(C)ccc3O)nc3ccccc23)cc1.COc1cccc([C@@H]2CNCC2Nc2nc(-c3cc(C)ccc3O)nc3ccccc23)c1.Cc1ccc(O)c(-c2nc(NC3CNC[C@H]3C(=O)O)c3ccccc3n2)c1.Cc1ccc(O)c(-c2nc(NC3CNC[C@H]3CO)c3ccccc3n2)c1.
What is the InChIKey of (3R)-4-[[2-(2-hydroxy-5-methylphenyl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid;2-[4-[[(4R)-4-(hydroxymethyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(4R)-4-(3-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(4R)-4-(4-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol?
The InChIKey is LBMFUVNJLUGADN-NYQVDHPDSA-N. The full InChI is InChI=1S/2C26H26N4O2.C20H20N4O3.C20H22N4O2/c1-16-10-11-24(31)20(12-16)26-28-22-9-4-3-8-19(22)25(30-26)29-23-15-27-14-21(23)17-6-5-7-18(13-17)32-2;1-16-7-12-24(31)20(13-16)26-28-22-6-4-3-5-19(22)25(30-26)29-23-15-27-14-21(23)17-8-10-18(32-2)11-9-17;1-11-6-7-17(25)13(8-11)19-22-15-5-3-2-4-12(15)18(24-19)23-16-10-21-9-14(16)20(26)27;1-12-6-7-18(26)15(8-12)20-22-16-5-3-2-4-14(16)19(24-20)23-17-10-21-9-13(17)11-25/h2*3-13,21,23,27,31H,14-15H2,1-2H3,(H,28,29,30);2-8,14,16,21,25H,9-10H2,1H3,(H,26,27)(H,22,23,24);2-8,13,17,21,25-26H,9-11H2,1H3,(H,22,23,24)/t2*21-,23?;14-,16?;13-,17?/m0010/s1.
What are the key properties of (3R)-4-[[2-(2-hydroxy-5-methylphenyl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid;2-[4-[[(4R)-4-(hydroxymethyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(4R)-4-(3-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(4R)-4-(4-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol?
(3R)-4-[[2-(2-hydroxy-5-methylphenyl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid;2-[4-[[(4R)-4-(hydroxymethyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(4R)-4-(3-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(4R)-4-(4-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol has a molecular weight of 1567.87 g/mol, XLogP of 13.67, 18 rotatable bonds, 14 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[[2-(2-hydroxy-5-methylphenyl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid;2-[4-[[(4R)-4-(hydroxymethyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(4R)-4-(3-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol;2-[4-[[(4R)-4-(4-methoxyphenyl)pyrrolidin-3-yl]amino]quinazolin-2-yl]-4-methylphenol is sourced from PubChem (CID 159302276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).