[4-chloro-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;2-(diethylamino)-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2-carbonitrile

C132H116Cl3N27O5 — CID 158979915

IUPAC[4-chloro-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;2-(diethylamino)-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2-carbonitrile
SMILESCCN(CC)c1nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c(C#N)c1Cc1ccc(-n2cccn2)cc1.CCN(CC)c1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(C#N)c1Cc1ccc(-n2cccn2)cc1.Cc1ccc(C(O)(c2ccc3nc(C#N)c(Cc4ccc(-n5cccn5)cc4)cc3c2)c2cncn2C)cn1
InChIInChI=1S/C35H34N8O.C34H32Cl2N6O.C32H25ClN6O2.C31H25N7O/c1-5-42(6-2)34-30(18-25-9-13-28(14-10-25)43-17-7-16-39-43)31(20-36)29-19-26(12-15-32(29)40-34)35(44,33-22-37-23-41(33)4)27-11-8-24(3)38-21-27;1-4-41(5-2)33-29(19-23-7-14-27(15-8-23)42-18-6-17-38-42)32(36)28-20-25(11-16-30(28)39-33)34(43,31-21-37-22-40(31)3)24-9-12-26(35)13-10-24;1-38-20-35-19-30(38)32(40,22-6-9-24(33)10-7-22)23-8-13-29-26(17-23)28(18-34)27(31(37-29)41-2)16-21-4-11-25(12-5-21)39-15-3-14-36-39;1-21-4-7-26(18-34-21)31(39,30-19-33-20-37(30)2)25-8-11-28-24(16-25)15-23(29(17-32)36-28)14-22-5-9-27(10-6-22)38-13-3-12-35-38/h7-17,19,21-23,44H,5-6,18H2,1-4H3;6-18,20-22,43H,4-5,19H2,1-3H3;3-15,17,19-20,40H,16H2,1-2H3;3-13,15-16,18-20,39H,14H2,1-2H3
InChIKeyJOWDFRFZUYAZSH-UHFFFAOYSA-N
MW2266.92 g/mol
LogP22.80
Rot. Bonds31

About [4-chloro-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;2-(diethylamino)-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2-carbonitrile

[4-chloro-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;2-(diethylamino)-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2-carbonitrile (PubChem CID 158979915) has the molecular formula C132H116Cl3N27O5 and a molecular weight of 2266.92 g/mol. Its IUPAC name is [4-chloro-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;2-(diethylamino)-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2-carbonitrile.

Molecular Properties

Compound Name[4-chloro-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;2-(diethylamino)-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2-carbonitrile
PubChem CID158979915
Molecular FormulaC132H116Cl3N27O5
Molecular Weight2266.92 g/mol
Exact Mass2263.87
IUPAC Name[4-chloro-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;2-(diethylamino)-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2-carbonitrile
SMILESCCN(CC)c1nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c(C#N)c1Cc1ccc(-n2cccn2)cc1.CCN(CC)c1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(C#N)c1Cc1ccc(-n2cccn2)cc1.Cc1ccc(C(O)(c2ccc3nc(C#N)c(Cc4ccc(-n5cccn5)cc4)cc3c2)c2cncn2C)cn1
InChIInChI=1S/C35H34N8O.C34H32Cl2N6O.C32H25ClN6O2.C31H25N7O/c1-5-42(6-2)34-30(18-25-9-13-28(14-10-25)43-17-7-16-39-43)31(20-36)29-19-26(12-15-32(29)40-34)35(44,33-22-37-23-41(33)4)27-11-8-24(3)38-21-27;1-4-41(5-2)33-29(19-23-7-14-27(15-8-23)42-18-6-17-38-42)32(36)28-20-25(11-16-30(28)39-33)34(43,31-21-37-22-40(31)3)24-9-12-26(35)13-10-24;1-38-20-35-19-30(38)32(40,22-6-9-24(33)10-7-22)23-8-13-29-26(17-23)28(18-34)27(31(37-29)41-2)16-21-4-11-25(12-5-21)39-15-3-14-36-39;1-21-4-7-26(18-34-21)31(39,30-19-33-20-37(30)2)25-8-11-28-24(16-25)15-23(29(17-32)36-28)14-22-5-9-27(10-6-22)38-13-3-12-35-38/h7-17,19,21-23,44H,5-6,18H2,1-4H3;6-18,20-22,43H,4-5,19H2,1-3H3;3-15,17,19-20,40H,16H2,1-2H3;3-13,15-16,18-20,39H,14H2,1-2H3
InChIKeyJOWDFRFZUYAZSH-UHFFFAOYSA-N
XLogP22.80
TPSA387.90 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds31
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002266.92
LogP ≤ 522.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Analyze [4-chloro-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;2-(diethylamino)-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;2-(diethylamino)-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2-carbonitrile?
The IUPAC name of [4-chloro-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;2-(diethylamino)-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2-carbonitrile (CID 158979915) is [4-chloro-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;2-(diethylamino)-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2-carbonitrile.
What is the SMILES notation for [4-chloro-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;2-(diethylamino)-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2-carbonitrile?
The canonical SMILES for [4-chloro-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;2-(diethylamino)-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2-carbonitrile is CCN(CC)c1nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c(C#N)c1Cc1ccc(-n2cccn2)cc1.CCN(CC)c1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(C#N)c1Cc1ccc(-n2cccn2)cc1.Cc1ccc(C(O)(c2ccc3nc(C#N)c(Cc4ccc(-n5cccn5)cc4)cc3c2)c2cncn2C)cn1.
What is the InChIKey of [4-chloro-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;2-(diethylamino)-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2-carbonitrile?
The InChIKey is JOWDFRFZUYAZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N8O.C34H32Cl2N6O.C32H25ClN6O2.C31H25N7O/c1-5-42(6-2)34-30(18-25-9-13-28(14-10-25)43-17-7-16-39-43)31(20-36)29-19-26(12-15-32(29)40-34)35(44,33-22-37-23-41(33)4)27-11-8-24(3)38-21-27;1-4-41(5-2)33-29(19-23-7-14-27(15-8-23)42-18-6-17-38-42)32(36)28-20-25(11-16-30(28)39-33)34(43,31-21-37-22-40(31)3)24-9-12-26(35)13-10-24;1-38-20-35-19-30(38)32(40,22-6-9-24(33)10-7-22)23-8-13-29-26(17-23)28(18-34)27(31(37-29)41-2)16-21-4-11-25(12-5-21)39-15-3-14-36-39;1-21-4-7-26(18-34-21)31(39,30-19-33-20-37(30)2)25-8-11-28-24(16-25)15-23(29(17-32)36-28)14-22-5-9-27(10-6-22)38-13-3-12-35-38/h7-17,19,21-23,44H,5-6,18H2,1-4H3;6-18,20-22,43H,4-5,19H2,1-3H3;3-15,17,19-20,40H,16H2,1-2H3;3-13,15-16,18-20,39H,14H2,1-2H3.
What are the key properties of [4-chloro-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;2-(diethylamino)-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2-carbonitrile?
[4-chloro-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;2-(diethylamino)-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2-carbonitrile has a molecular weight of 2266.92 g/mol, XLogP of 22.80, 31 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;2-(diethylamino)-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2-carbonitrile is sourced from PubChem (CID 158979915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).