1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-cyclohexylpiperidine-3-carboxamide

C27H30ClN3O2 — CID 4874001

IUPAC1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-cyclohexylpiperidine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CCCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C1
InChIInChI=1S/C27H30ClN3O2/c28-20-13-14-23-22(16-20)24(18-8-3-1-4-9-18)25(27(33)30-23)31-15-7-10-19(17-31)26(32)29-21-11-5-2-6-12-21/h1,3-4,8-9,13-14,16,19,21H,2,5-7,10-12,15,17H2,(H,29,32)(H,30,33)
InChIKeyARHCCQXATZSZPS-UHFFFAOYSA-N
MW464.01 g/mol
LogP5.51
Rot. Bonds4

About 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-cyclohexylpiperidine-3-carboxamide

1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-cyclohexylpiperidine-3-carboxamide (PubChem CID 4874001) has the molecular formula C27H30ClN3O2 and a molecular weight of 464.01 g/mol. Its IUPAC name is 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-cyclohexylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-cyclohexylpiperidine-3-carboxamide
PubChem CID4874001
Molecular FormulaC27H30ClN3O2
Molecular Weight464.01 g/mol
Exact Mass463.20
IUPAC Name1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-cyclohexylpiperidine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CCCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C1
InChIInChI=1S/C27H30ClN3O2/c28-20-13-14-23-22(16-20)24(18-8-3-1-4-9-18)25(27(33)30-23)31-15-7-10-19(17-31)26(32)29-21-11-5-2-6-12-21/h1,3-4,8-9,13-14,16,19,21H,2,5-7,10-12,15,17H2,(H,29,32)(H,30,33)
InChIKeyARHCCQXATZSZPS-UHFFFAOYSA-N
XLogP5.51
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.01
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-cyclohexylpiperidine-3-carboxamide?
The IUPAC name of 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-cyclohexylpiperidine-3-carboxamide (CID 4874001) is 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-cyclohexylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-cyclohexylpiperidine-3-carboxamide?
The canonical SMILES for 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-cyclohexylpiperidine-3-carboxamide is O=C(NC1CCCCC1)C1CCCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C1.
What is the InChIKey of 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-cyclohexylpiperidine-3-carboxamide?
The InChIKey is ARHCCQXATZSZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN3O2/c28-20-13-14-23-22(16-20)24(18-8-3-1-4-9-18)25(27(33)30-23)31-15-7-10-19(17-31)26(32)29-21-11-5-2-6-12-21/h1,3-4,8-9,13-14,16,19,21H,2,5-7,10-12,15,17H2,(H,29,32)(H,30,33).
What are the key properties of 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-cyclohexylpiperidine-3-carboxamide?
1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-cyclohexylpiperidine-3-carboxamide has a molecular weight of 464.01 g/mol, XLogP of 5.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-cyclohexylpiperidine-3-carboxamide is sourced from PubChem (CID 4874001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).