(8-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone

C25H21ClN4O — CID 17371778

IUPAC(8-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cc(-c2ccccn2)nc2c(Cl)cccc12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H21ClN4O/c26-21-10-6-9-19-20(17-23(28-24(19)21)22-11-4-5-12-27-22)25(31)30-15-13-29(14-16-30)18-7-2-1-3-8-18/h1-12,17H,13-16H2
InChIKeySCUTZYFQMDSMHX-UHFFFAOYSA-N
MW428.92 g/mol
LogP4.91
Rot. Bonds3

About (8-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone

(8-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 17371778) has the molecular formula C25H21ClN4O and a molecular weight of 428.92 g/mol. Its IUPAC name is (8-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(8-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID17371778
Molecular FormulaC25H21ClN4O
Molecular Weight428.92 g/mol
Exact Mass428.14
IUPAC Name(8-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cc(-c2ccccn2)nc2c(Cl)cccc12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H21ClN4O/c26-21-10-6-9-19-20(17-23(28-24(19)21)22-11-4-5-12-27-22)25(31)30-15-13-29(14-16-30)18-7-2-1-3-8-18/h1-12,17H,13-16H2
InChIKeySCUTZYFQMDSMHX-UHFFFAOYSA-N
XLogP4.91
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (8-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone with MolForge

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Related Compounds

(6,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 1257141
[2-(2-chlorophenyl)-8-methylquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 2220935
[2-(2-chlorophenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 1023295
(4-pyridin-2-ylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 27255529
(7-chloro-8-methyl-2-phenylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 17372354
piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 13336341
(8-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1261917
2-[4-(8-chloro-2-methylquinoline-4-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 131918713
5,8-dichloro-2-pyridin-2-ylquinoline-4-carboxylic acid
CID 106988523
[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyl-8-thiophen-2-ylquinolin-4-yl)methanone
CID 162654911
(7-chloro-8-methyl-2-pyridin-3-ylquinolin-4-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 17375501
(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 8934171

Frequently Asked Questions

What is the IUPAC name of (8-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (8-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone (CID 17371778) is (8-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (8-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (8-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone is O=C(c1cc(-c2ccccn2)nc2c(Cl)cccc12)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (8-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is SCUTZYFQMDSMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O/c26-21-10-6-9-19-20(17-23(28-24(19)21)22-11-4-5-12-27-22)25(31)30-15-13-29(14-16-30)18-7-2-1-3-8-18/h1-12,17H,13-16H2.
What are the key properties of (8-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
(8-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 428.92 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 17371778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).