(6-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone

C25H19Cl3N4O — CID 17375214

IUPAC(6-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccncc2)nc2ccc(Cl)cc12)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C25H19Cl3N4O/c26-17-1-4-23-19(13-17)20(15-24(30-23)16-5-7-29-8-6-16)25(33)32-11-9-31(10-12-32)18-2-3-21(27)22(28)14-18/h1-8,13-15H,9-12H2
InChIKeyOUQCTNVPYQHPBV-UHFFFAOYSA-N
MW497.81 g/mol
LogP6.22
Rot. Bonds3

About (6-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone

(6-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone (PubChem CID 17375214) has the molecular formula C25H19Cl3N4O and a molecular weight of 497.81 g/mol. Its IUPAC name is (6-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone
PubChem CID17375214
Molecular FormulaC25H19Cl3N4O
Molecular Weight497.81 g/mol
Exact Mass496.06
IUPAC Name(6-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccncc2)nc2ccc(Cl)cc12)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C25H19Cl3N4O/c26-17-1-4-23-19(13-17)20(15-24(30-23)16-5-7-29-8-6-16)25(33)32-11-9-31(10-12-32)18-2-3-21(27)22(28)14-18/h1-8,13-15H,9-12H2
InChIKeyOUQCTNVPYQHPBV-UHFFFAOYSA-N
XLogP6.22
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.81
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(6-chloro-2-pyridin-4-ylquinolin-4-yl)-piperidin-1-ylmethanone
CID 17375203
6-chloro-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 3789667
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone
CID 17375510
(6-chloro-2-pyridin-4-ylquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 2965627
1-[4-[4-(6-bromo-2-pyridin-4-ylquinoline-4-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 2965502
(4-chlorophenyl)-[4-(2-pyridin-4-ylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 37068160
(6-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 1261235
[4-(4-nitrophenyl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 17375114
(3,4-dichlorophenyl)-[1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidin-4-yl]methanone
CID 55955997
(7-chloro-8-methyl-2-pyridin-3-ylquinolin-4-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 17375501
(4-benzylpiperidin-1-yl)-(6-chloro-2-phenylquinolin-4-yl)methanone
CID 17250380
[6-bromo-2-(4-propoxyphenyl)quinolin-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 5181062

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (6-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone (CID 17375214) is (6-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone is O=C(c1cc(-c2ccncc2)nc2ccc(Cl)cc12)N1CCN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of (6-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone?
The InChIKey is OUQCTNVPYQHPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl3N4O/c26-17-1-4-23-19(13-17)20(15-24(30-23)16-5-7-29-8-6-16)25(33)32-11-9-31(10-12-32)18-2-3-21(27)22(28)14-18/h1-8,13-15H,9-12H2.
What are the key properties of (6-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone?
(6-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone has a molecular weight of 497.81 g/mol, XLogP of 6.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 17375214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).