[(2R)-1-(2-chloro-7-propan-2-yloxyquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloro-7-propan-2-yloxyquinazoline;[(2R)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-7-propan-2-yloxyquinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2R)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

C72H90Cl3N15O10 — CID 167621032

IUPAC[(2R)-1-(2-chloro-7-propan-2-yloxyquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloro-7-propan-2-yloxyquinazoline;[(2R)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-7-propan-2-yloxyquinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2R)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
SMILESCC(C)Oc1ccc2c(Cl)nc(Cl)nc2c1.CC(C)Oc1ccc2c(N3CCC[C@@H]3CO)nc(Cl)nc2c1.COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@@H]4CO)c4ccc(OC(C)C)cc4n3)c2)cc(C)c1C.OC[C@H]1CCCN1
InChIInChI=1S/C28H34N6O3.C16H20ClN3O2.C12H15N3O3.C11H10Cl2N2O.C5H11NO/c1-17(2)37-22-8-9-23-24(13-22)30-28(32-27(23)34-10-6-7-20(34)15-35)31-26-14-33(16-29-26)21-11-18(3)19(4)25(12-21)36-5;1-10(2)22-12-5-6-13-14(8-12)18-16(17)19-15(13)20-7-3-4-11(20)9-21;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;1-6(2)16-7-3-4-8-9(5-7)14-11(13)15-10(8)12;7-4-5-2-1-3-6-5/h8-9,11-14,16-17,20,35H,6-7,10,15H2,1-5H3,(H,30,31,32);5-6,8,10-11,21H,3-4,7,9H2,1-2H3;4-7H,13H2,1-3H3;3-6H,1-2H3;5-7H,1-4H2/t20-;11-;;;5-/m11..1/s1
InChIKeyMKYXYMKQDSMHRI-MXSPGBIHSA-N
MW1431.97 g/mol
LogP12.90
Rot. Bonds19

About [(2R)-1-(2-chloro-7-propan-2-yloxyquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloro-7-propan-2-yloxyquinazoline;[(2R)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-7-propan-2-yloxyquinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2R)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

[(2R)-1-(2-chloro-7-propan-2-yloxyquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloro-7-propan-2-yloxyquinazoline;[(2R)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-7-propan-2-yloxyquinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2R)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (PubChem CID 167621032) has the molecular formula C72H90Cl3N15O10 and a molecular weight of 1431.97 g/mol. Its IUPAC name is [(2R)-1-(2-chloro-7-propan-2-yloxyquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloro-7-propan-2-yloxyquinazoline;[(2R)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-7-propan-2-yloxyquinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2R)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.

Molecular Properties

Compound Name[(2R)-1-(2-chloro-7-propan-2-yloxyquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloro-7-propan-2-yloxyquinazoline;[(2R)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-7-propan-2-yloxyquinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2R)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
PubChem CID167621032
Molecular FormulaC72H90Cl3N15O10
Molecular Weight1431.97 g/mol
Exact Mass1429.61
IUPAC Name[(2R)-1-(2-chloro-7-propan-2-yloxyquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloro-7-propan-2-yloxyquinazoline;[(2R)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-7-propan-2-yloxyquinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2R)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
SMILESCC(C)Oc1ccc2c(Cl)nc(Cl)nc2c1.CC(C)Oc1ccc2c(N3CCC[C@@H]3CO)nc(Cl)nc2c1.COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@@H]4CO)c4ccc(OC(C)C)cc4n3)c2)cc(C)c1C.OC[C@H]1CCCN1
InChIInChI=1S/C28H34N6O3.C16H20ClN3O2.C12H15N3O3.C11H10Cl2N2O.C5H11NO/c1-17(2)37-22-8-9-23-24(13-22)30-28(32-27(23)34-10-6-7-20(34)15-35)31-26-14-33(16-29-26)21-11-18(3)19(4)25(12-21)36-5;1-10(2)22-12-5-6-13-14(8-12)18-16(17)19-15(13)20-7-3-4-11(20)9-21;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;1-6(2)16-7-3-4-8-9(5-7)14-11(13)15-10(8)12;7-4-5-2-1-3-6-5/h8-9,11-14,16-17,20,35H,6-7,10,15H2,1-5H3,(H,30,31,32);5-6,8,10-11,21H,3-4,7,9H2,1-2H3;4-7H,13H2,1-3H3;3-6H,1-2H3;5-7H,1-4H2/t20-;11-;;;5-/m11..1/s1
InChIKeyMKYXYMKQDSMHRI-MXSPGBIHSA-N
XLogP12.90
TPSA294.84 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds19
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001431.97
LogP ≤ 512.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze [(2R)-1-(2-chloro-7-propan-2-yloxyquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloro-7-propan-2-yloxyquinazoline;[(2R)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-7-propan-2-yloxyquinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2R)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine with MolForge

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Related Compounds

7-Chloro-4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2,8-bis(trifluoromethyl)quinoline;4-[4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-6,7-dimethoxyquinazolin-2-yl]morpholine;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-imidazol-1-ylquinazoline;5-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-7-methoxyquinolin-2-amine;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-7-methoxyquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-7-(trifluoromethyl)quinoline
CID 158932148
[(2S)-1-[2-chloro-7-(trifluoromethyl)quinazolin-4-yl]pyrrolidin-2-yl]methanol;2,4-dichloro-7-(trifluoromethyl)quinazoline;[(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-7-(trifluoromethyl)quinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 167590701
tert-butyl 2-chloro-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;tert-butyl 4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;dichloromethane;[(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;2,2,2-trifluoroacetic acid;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 167590725
[(2S)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-4,4-difluoro-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-4,4-difluoropyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride
CID 167660171
2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;[(2R)-pyrrolidin-2-yl]methanol;[(2R)-1-[7-(trifluoromethyl)-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidin-2-yl]methanol
CID 167679376
2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;2,4-dichloro-7-(trifluoromethyl)quinazoline;[(2S)-pyrrolidin-2-yl]methanol;[(2S)-1-[7-(trifluoromethyl)-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 167702552
N-(4-chloro-2-fluorophenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine;4-fluoro-5-[[6-methoxy-7-[(1-methylimidazol-2-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol;quinazoline
CID 88352849
[(2R)-1-[7-[(2R)-2-(hydroxymethyl)-3-[(2R)-2-(hydroxymethyl)-1-[2-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]pyrrolidin-1-yl]-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidin-2-yl]methanol
CID 142498290
6-cyclohexyloxy-N-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]quinazolin-4-amine;6-(2-imidazol-1-ylethoxy)-N-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]quinazolin-4-amine;6-methoxy-N-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]quinazolin-4-amine;N-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]-6-(oxan-2-ylmethoxy)quinazolin-4-amine;N-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]-6-(oxan-4-yloxy)quinazolin-4-amine;N-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]-6-(oxolan-2-ylmethoxy)quinazolin-4-amine
CID 157644983
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
1-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol;(2S)-1-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol;(2R)-1-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol;6-methoxy-N-methyl-4-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-2-amine;2-N-[6-methoxy-5-[(1-methylpyrrolidin-3-yl)methoxy]-3-pyridinyl]-4-N,6-dimethylpyrimidine-2,4-diamine;2-N-[6-methoxy-5-[[(3R)-1-methylpyrrolidin-3-yl]methoxy]-3-pyridinyl]-4-N,6-dimethylpyrimidine-2,4-diamine;2-N-[6-methoxy-5-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]-3-pyridinyl]-4-N,6-dimethylpyrimidine-2,4-diamine;2-N-[4-methoxy-3-(4-pyrrolidin-1-ylbutyl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 158606758
2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyrimidin-3-amine;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethylphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-amine
CID 159228668

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-chloro-7-propan-2-yloxyquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloro-7-propan-2-yloxyquinazoline;[(2R)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-7-propan-2-yloxyquinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2R)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?
The IUPAC name of [(2R)-1-(2-chloro-7-propan-2-yloxyquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloro-7-propan-2-yloxyquinazoline;[(2R)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-7-propan-2-yloxyquinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2R)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (CID 167621032) is [(2R)-1-(2-chloro-7-propan-2-yloxyquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloro-7-propan-2-yloxyquinazoline;[(2R)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-7-propan-2-yloxyquinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2R)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.
What is the SMILES notation for [(2R)-1-(2-chloro-7-propan-2-yloxyquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloro-7-propan-2-yloxyquinazoline;[(2R)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-7-propan-2-yloxyquinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2R)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?
The canonical SMILES for [(2R)-1-(2-chloro-7-propan-2-yloxyquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloro-7-propan-2-yloxyquinazoline;[(2R)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-7-propan-2-yloxyquinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2R)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is CC(C)Oc1ccc2c(Cl)nc(Cl)nc2c1.CC(C)Oc1ccc2c(N3CCC[C@@H]3CO)nc(Cl)nc2c1.COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@@H]4CO)c4ccc(OC(C)C)cc4n3)c2)cc(C)c1C.OC[C@H]1CCCN1.
What is the InChIKey of [(2R)-1-(2-chloro-7-propan-2-yloxyquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloro-7-propan-2-yloxyquinazoline;[(2R)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-7-propan-2-yloxyquinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2R)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?
The InChIKey is MKYXYMKQDSMHRI-MXSPGBIHSA-N. The full InChI is InChI=1S/C28H34N6O3.C16H20ClN3O2.C12H15N3O3.C11H10Cl2N2O.C5H11NO/c1-17(2)37-22-8-9-23-24(13-22)30-28(32-27(23)34-10-6-7-20(34)15-35)31-26-14-33(16-29-26)21-11-18(3)19(4)25(12-21)36-5;1-10(2)22-12-5-6-13-14(8-12)18-16(17)19-15(13)20-7-3-4-11(20)9-21;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;1-6(2)16-7-3-4-8-9(5-7)14-11(13)15-10(8)12;7-4-5-2-1-3-6-5/h8-9,11-14,16-17,20,35H,6-7,10,15H2,1-5H3,(H,30,31,32);5-6,8,10-11,21H,3-4,7,9H2,1-2H3;4-7H,13H2,1-3H3;3-6H,1-2H3;5-7H,1-4H2/t20-;11-;;;5-/m11..1/s1.
What are the key properties of [(2R)-1-(2-chloro-7-propan-2-yloxyquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloro-7-propan-2-yloxyquinazoline;[(2R)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-7-propan-2-yloxyquinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2R)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?
[(2R)-1-(2-chloro-7-propan-2-yloxyquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloro-7-propan-2-yloxyquinazoline;[(2R)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-7-propan-2-yloxyquinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2R)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine has a molecular weight of 1431.97 g/mol, XLogP of 12.90, 19 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-chloro-7-propan-2-yloxyquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloro-7-propan-2-yloxyquinazoline;[(2R)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-7-propan-2-yloxyquinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2R)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 167621032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).