2-[4-[2-(2-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile

C26H20ClN5O — CID 99164423

IUPAC2-[4-[2-(2-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(C(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)CC1
InChIInChI=1S/C26H20ClN5O/c27-22-9-3-1-8-20(22)24-16-21(19-7-2-4-10-23(19)30-24)26(33)32-14-12-31(13-15-32)25-18(17-28)6-5-11-29-25/h1-11,16H,12-15H2
InChIKeyRLXKSWUIAGFDLC-UHFFFAOYSA-N
MW453.93 g/mol
LogP4.78
Rot. Bonds3

About 2-[4-[2-(2-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile

2-[4-[2-(2-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 99164423) has the molecular formula C26H20ClN5O and a molecular weight of 453.93 g/mol. Its IUPAC name is 2-[4-[2-(2-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[2-(2-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID99164423
Molecular FormulaC26H20ClN5O
Molecular Weight453.93 g/mol
Exact Mass453.14
IUPAC Name2-[4-[2-(2-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(C(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)CC1
InChIInChI=1S/C26H20ClN5O/c27-22-9-3-1-8-20(22)24-16-21(19-7-2-4-10-23(19)30-24)26(33)32-14-12-31(13-15-32)25-18(17-28)6-5-11-29-25/h1-11,16H,12-15H2
InChIKeyRLXKSWUIAGFDLC-UHFFFAOYSA-N
XLogP4.78
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.93
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-chlorophenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 1023295
2-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]benzoic acid
CID 2812107
2-[4-(anthracene-9-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 11741241
2-[4-(2,8-dimethylquinoline-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 70730012
[2-(2-chlorophenyl)quinolin-4-yl]-[4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 154863997
(2-chloroquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 8010507
[2-(4-phenylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2382262
(4-pyridin-2-ylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 27255529
[2-(2-chlorophenyl)-8-methylquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 2220935
piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 13336341
2-[4-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 55456470
2-[4-(2-pyrazol-1-ylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 78889228

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-[2-(2-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 99164423) is 2-[4-[2-(2-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[2-(2-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[2-(2-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCN(C(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)CC1.
What is the InChIKey of 2-[4-[2-(2-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is RLXKSWUIAGFDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN5O/c27-22-9-3-1-8-20(22)24-16-21(19-7-2-4-10-23(19)30-24)26(33)32-14-12-31(13-15-32)25-18(17-28)6-5-11-29-25/h1-11,16H,12-15H2.
What are the key properties of 2-[4-[2-(2-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile?
2-[4-[2-(2-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 453.93 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 99164423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).