[(2S)-1-(2-chloro-7-fluoro-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloro-7-fluoroquinazoline;[(2S)-1-[7-fluoro-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]quinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

C63H73Cl3F3N15O7 — CID 167606506

IUPAC[(2S)-1-(2-chloro-7-fluoro-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloro-7-fluoroquinazoline;[(2S)-1-[7-fluoro-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]quinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
SMILESCOc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)c4ccc(F)cc4n3)c2)cc(C)c1C.Fc1ccc2c(Cl)nc(Cl)nc2c1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1nc(Cl)nc2c1CCC(F)C2
InChIInChI=1S/C25H27FN6O2.C13H17ClFN3O.C12H15N3O3.C8H3Cl2FN2.C5H11NO/c1-15-9-19(11-22(34-3)16(15)2)31-12-23(27-14-31)29-25-28-21-10-17(26)6-7-20(21)24(30-25)32-8-4-5-18(32)13-33;14-13-16-11-6-8(15)3-4-10(11)12(17-13)18-5-1-2-9(18)7-19;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;9-7-5-2-1-4(11)3-6(5)12-8(10)13-7;7-4-5-2-1-3-6-5/h6-7,9-12,14,18,33H,4-5,8,13H2,1-3H3,(H,28,29,30);8-9,19H,1-7H2;4-7H,13H2,1-3H3;1-3H;5-7H,1-4H2/t18-;8?,9-;;;5-/m00..0/s1
InChIKeyKLOLVRFZGVCQIN-WHCANUBASA-N
MW1315.73 g/mol
LogP10.49
Rot. Bonds13

About [(2S)-1-(2-chloro-7-fluoro-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloro-7-fluoroquinazoline;[(2S)-1-[7-fluoro-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]quinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

[(2S)-1-(2-chloro-7-fluoro-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloro-7-fluoroquinazoline;[(2S)-1-[7-fluoro-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]quinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (PubChem CID 167606506) has the molecular formula C63H73Cl3F3N15O7 and a molecular weight of 1315.73 g/mol. Its IUPAC name is [(2S)-1-(2-chloro-7-fluoro-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloro-7-fluoroquinazoline;[(2S)-1-[7-fluoro-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]quinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.

Molecular Properties

Compound Name[(2S)-1-(2-chloro-7-fluoro-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloro-7-fluoroquinazoline;[(2S)-1-[7-fluoro-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]quinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
PubChem CID167606506
Molecular FormulaC63H73Cl3F3N15O7
Molecular Weight1315.73 g/mol
Exact Mass1313.48
IUPAC Name[(2S)-1-(2-chloro-7-fluoro-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloro-7-fluoroquinazoline;[(2S)-1-[7-fluoro-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]quinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
SMILESCOc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)c4ccc(F)cc4n3)c2)cc(C)c1C.Fc1ccc2c(Cl)nc(Cl)nc2c1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1nc(Cl)nc2c1CCC(F)C2
InChIInChI=1S/C25H27FN6O2.C13H17ClFN3O.C12H15N3O3.C8H3Cl2FN2.C5H11NO/c1-15-9-19(11-22(34-3)16(15)2)31-12-23(27-14-31)29-25-28-21-10-17(26)6-7-20(21)24(30-25)32-8-4-5-18(32)13-33;14-13-16-11-6-8(15)3-4-10(11)12(17-13)18-5-1-2-9(18)7-19;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;9-7-5-2-1-4(11)3-6(5)12-8(10)13-7;7-4-5-2-1-3-6-5/h6-7,9-12,14,18,33H,4-5,8,13H2,1-3H3,(H,28,29,30);8-9,19H,1-7H2;4-7H,13H2,1-3H3;1-3H;5-7H,1-4H2/t18-;8?,9-;;;5-/m00..0/s1
InChIKeyKLOLVRFZGVCQIN-WHCANUBASA-N
XLogP10.49
TPSA267.15 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds13
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001315.73
LogP ≤ 510.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze [(2S)-1-(2-chloro-7-fluoro-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloro-7-fluoroquinazoline;[(2S)-1-[7-fluoro-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]quinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-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-4-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-4-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;trifluoromethylcyclopentane;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 167666835
tert-butyl 2-chloro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-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 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;dichloromethane;[(2S)-pyrrolidin-2-yl]methanol;2,2,2-trifluoroacetic acid;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 167675684
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
tert-butyl 4-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl 4-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl 2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;dichloromethane;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 167702723
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
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 [(2S)-1-(2-chloro-7-fluoro-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloro-7-fluoroquinazoline;[(2S)-1-[7-fluoro-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]quinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?
The IUPAC name of [(2S)-1-(2-chloro-7-fluoro-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloro-7-fluoroquinazoline;[(2S)-1-[7-fluoro-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]quinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (CID 167606506) is [(2S)-1-(2-chloro-7-fluoro-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloro-7-fluoroquinazoline;[(2S)-1-[7-fluoro-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]quinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.
What is the SMILES notation for [(2S)-1-(2-chloro-7-fluoro-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloro-7-fluoroquinazoline;[(2S)-1-[7-fluoro-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]quinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?
The canonical SMILES for [(2S)-1-(2-chloro-7-fluoro-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloro-7-fluoroquinazoline;[(2S)-1-[7-fluoro-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]quinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)c4ccc(F)cc4n3)c2)cc(C)c1C.Fc1ccc2c(Cl)nc(Cl)nc2c1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1nc(Cl)nc2c1CCC(F)C2.
What is the InChIKey of [(2S)-1-(2-chloro-7-fluoro-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloro-7-fluoroquinazoline;[(2S)-1-[7-fluoro-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]quinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?
The InChIKey is KLOLVRFZGVCQIN-WHCANUBASA-N. The full InChI is InChI=1S/C25H27FN6O2.C13H17ClFN3O.C12H15N3O3.C8H3Cl2FN2.C5H11NO/c1-15-9-19(11-22(34-3)16(15)2)31-12-23(27-14-31)29-25-28-21-10-17(26)6-7-20(21)24(30-25)32-8-4-5-18(32)13-33;14-13-16-11-6-8(15)3-4-10(11)12(17-13)18-5-1-2-9(18)7-19;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;9-7-5-2-1-4(11)3-6(5)12-8(10)13-7;7-4-5-2-1-3-6-5/h6-7,9-12,14,18,33H,4-5,8,13H2,1-3H3,(H,28,29,30);8-9,19H,1-7H2;4-7H,13H2,1-3H3;1-3H;5-7H,1-4H2/t18-;8?,9-;;;5-/m00..0/s1.
What are the key properties of [(2S)-1-(2-chloro-7-fluoro-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloro-7-fluoroquinazoline;[(2S)-1-[7-fluoro-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]quinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?
[(2S)-1-(2-chloro-7-fluoro-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloro-7-fluoroquinazoline;[(2S)-1-[7-fluoro-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]quinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine has a molecular weight of 1315.73 g/mol, XLogP of 10.49, 13 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-chloro-7-fluoro-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloro-7-fluoroquinazoline;[(2S)-1-[7-fluoro-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]quinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 167606506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).