(7-chloro-8-methyl-2-pyridin-3-ylquinolin-4-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone

C26H22Cl2N4O — CID 17375501

IUPAC(7-chloro-8-methyl-2-pyridin-3-ylquinolin-4-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESCc1c(Cl)ccc2c(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc(-c3cccnc3)nc12
InChIInChI=1S/C26H22Cl2N4O/c1-17-23(28)8-7-21-22(15-24(30-25(17)21)18-4-3-9-29-16-18)26(33)32-12-10-31(11-13-32)20-6-2-5-19(27)14-20/h2-9,14-16H,10-13H2,1H3
InChIKeyHIYYINNLGCZPGD-UHFFFAOYSA-N
MW477.40 g/mol
LogP5.87
Rot. Bonds3

About (7-chloro-8-methyl-2-pyridin-3-ylquinolin-4-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone

(7-chloro-8-methyl-2-pyridin-3-ylquinolin-4-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 17375501) has the molecular formula C26H22Cl2N4O and a molecular weight of 477.40 g/mol. Its IUPAC name is (7-chloro-8-methyl-2-pyridin-3-ylquinolin-4-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(7-chloro-8-methyl-2-pyridin-3-ylquinolin-4-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
PubChem CID17375501
Molecular FormulaC26H22Cl2N4O
Molecular Weight477.40 g/mol
Exact Mass476.12
IUPAC Name(7-chloro-8-methyl-2-pyridin-3-ylquinolin-4-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESCc1c(Cl)ccc2c(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc(-c3cccnc3)nc12
InChIInChI=1S/C26H22Cl2N4O/c1-17-23(28)8-7-21-22(15-24(30-25(17)21)18-4-3-9-29-16-18)26(33)32-12-10-31(11-13-32)20-6-2-5-19(27)14-20/h2-9,14-16H,10-13H2,1H3
InChIKeyHIYYINNLGCZPGD-UHFFFAOYSA-N
XLogP5.87
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.40
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7-chloro-8-methyl-2-pyridin-3-ylquinolin-4-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(7-chloro-8-methyl-2-phenylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 17372354
[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyl-8-thiophen-2-ylquinolin-4-yl)methanone
CID 162654911
[7-chloro-8-methyl-2-(3-methylphenyl)quinolin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 1261814
[2-(2-chlorophenyl)-8-methylquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 2220935
(6-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone
CID 17375214
7-chloro-8-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 7248332
(8-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 17371778
(2-chloro-5-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 71822560
[4-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)methanone
CID 20959527
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 96588883
[4-(4-chlorophenyl)piperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 60557626
(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
CID 3412131

Frequently Asked Questions

What is the IUPAC name of (7-chloro-8-methyl-2-pyridin-3-ylquinolin-4-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (7-chloro-8-methyl-2-pyridin-3-ylquinolin-4-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone (CID 17375501) is (7-chloro-8-methyl-2-pyridin-3-ylquinolin-4-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (7-chloro-8-methyl-2-pyridin-3-ylquinolin-4-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (7-chloro-8-methyl-2-pyridin-3-ylquinolin-4-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone is Cc1c(Cl)ccc2c(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc(-c3cccnc3)nc12.
What is the InChIKey of (7-chloro-8-methyl-2-pyridin-3-ylquinolin-4-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is HIYYINNLGCZPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2N4O/c1-17-23(28)8-7-21-22(15-24(30-25(17)21)18-4-3-9-29-16-18)26(33)32-12-10-31(11-13-32)20-6-2-5-19(27)14-20/h2-9,14-16H,10-13H2,1H3.
What are the key properties of (7-chloro-8-methyl-2-pyridin-3-ylquinolin-4-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
(7-chloro-8-methyl-2-pyridin-3-ylquinolin-4-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone has a molecular weight of 477.40 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-8-methyl-2-pyridin-3-ylquinolin-4-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 17375501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).