[(2R)-1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloroquinazoline;[(2R)-1-[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

C63H72Cl3N15O7 — CID 167552049

IUPAC[(2R)-1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloroquinazoline;[(2R)-1-[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)c4ccccc4n3)c2)cc(C)c1C.Clc1nc(Cl)c2ccccc2n1.OC[C@@H]1CCCN1.OC[C@H]1CCCN1c1nc(Cl)nc2ccccc12
InChIInChI=1S/C25H28N6O2.C13H14ClN3O.C12H15N3O3.C8H4Cl2N2.C5H11NO/c1-16-11-19(12-22(33-3)17(16)2)30-13-23(26-15-30)28-25-27-21-9-5-4-8-20(21)24(29-25)31-10-6-7-18(31)14-32;14-13-15-11-6-2-1-5-10(11)12(16-13)17-7-3-4-9(17)8-18;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;9-7-5-3-1-2-4-6(5)11-8(10)12-7;7-4-5-2-1-3-6-5/h4-5,8-9,11-13,15,18,32H,6-7,10,14H2,1-3H3,(H,27,28,29);1-2,5-6,9,18H,3-4,7-8H2;4-7H,13H2,1-3H3;1-4H;5-7H,1-4H2/t18-;9-;;;5-/m11..0/s1
InChIKeyCNPAKBQWTZFZQK-PQZVMCLSSA-N
MW1257.73 g/mol
LogP10.54
Rot. Bonds13

About [(2R)-1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloroquinazoline;[(2R)-1-[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

[(2R)-1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloroquinazoline;[(2R)-1-[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 167552049) has the molecular formula C63H72Cl3N15O7 and a molecular weight of 1257.73 g/mol. Its IUPAC name is [(2R)-1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloroquinazoline;[(2R)-1-[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[(2R)-1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloroquinazoline;[(2R)-1-[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 CID167552049
Molecular FormulaC63H72Cl3N15O7
Molecular Weight1257.73 g/mol
Exact Mass1255.48
IUPAC Name[(2R)-1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloroquinazoline;[(2R)-1-[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)c4ccccc4n3)c2)cc(C)c1C.Clc1nc(Cl)c2ccccc2n1.OC[C@@H]1CCCN1.OC[C@H]1CCCN1c1nc(Cl)nc2ccccc12
InChIInChI=1S/C25H28N6O2.C13H14ClN3O.C12H15N3O3.C8H4Cl2N2.C5H11NO/c1-16-11-19(12-22(33-3)17(16)2)30-13-23(26-15-30)28-25-27-21-9-5-4-8-20(21)24(29-25)31-10-6-7-18(31)14-32;14-13-15-11-6-2-1-5-10(11)12(16-13)17-7-3-4-9(17)8-18;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;9-7-5-3-1-2-4-6(5)11-8(10)12-7;7-4-5-2-1-3-6-5/h4-5,8-9,11-13,15,18,32H,6-7,10,14H2,1-3H3,(H,27,28,29);1-2,5-6,9,18H,3-4,7-8H2;4-7H,13H2,1-3H3;1-4H;5-7H,1-4H2/t18-;9-;;;5-/m11..0/s1
InChIKeyCNPAKBQWTZFZQK-PQZVMCLSSA-N
XLogP10.54
TPSA267.15 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds13
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001257.73
LogP ≤ 510.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze [(2R)-1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloroquinazoline;[(2R)-1-[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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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloroquinazoline;[(2R)-1-[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 [(2R)-1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloroquinazoline;[(2R)-1-[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 167552049) is [(2R)-1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloroquinazoline;[(2R)-1-[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 [(2R)-1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloroquinazoline;[(2R)-1-[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 [(2R)-1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloroquinazoline;[(2R)-1-[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)c4ccccc4n3)c2)cc(C)c1C.Clc1nc(Cl)c2ccccc2n1.OC[C@@H]1CCCN1.OC[C@H]1CCCN1c1nc(Cl)nc2ccccc12.
What is the InChIKey of [(2R)-1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloroquinazoline;[(2R)-1-[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 CNPAKBQWTZFZQK-PQZVMCLSSA-N. The full InChI is InChI=1S/C25H28N6O2.C13H14ClN3O.C12H15N3O3.C8H4Cl2N2.C5H11NO/c1-16-11-19(12-22(33-3)17(16)2)30-13-23(26-15-30)28-25-27-21-9-5-4-8-20(21)24(29-25)31-10-6-7-18(31)14-32;14-13-15-11-6-2-1-5-10(11)12(16-13)17-7-3-4-9(17)8-18;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;9-7-5-3-1-2-4-6(5)11-8(10)12-7;7-4-5-2-1-3-6-5/h4-5,8-9,11-13,15,18,32H,6-7,10,14H2,1-3H3,(H,27,28,29);1-2,5-6,9,18H,3-4,7-8H2;4-7H,13H2,1-3H3;1-4H;5-7H,1-4H2/t18-;9-;;;5-/m11..0/s1.
What are the key properties of [(2R)-1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloroquinazoline;[(2R)-1-[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?
[(2R)-1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloroquinazoline;[(2R)-1-[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 1257.73 g/mol, XLogP of 10.54, 13 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloroquinazoline;[(2R)-1-[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 167552049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).