(3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(diethylamino)propyl]piperidine-3-carboxamide

C28H35ClN4O2 — CID 40816876

IUPAC(3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(diethylamino)propyl]piperidine-3-carboxamide
SMILESCCN(CC)CCCNC(=O)[C@@H]1CCCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C1
InChIInChI=1S/C28H35ClN4O2/c1-3-32(4-2)16-9-15-30-27(34)21-12-8-17-33(19-21)26-25(20-10-6-5-7-11-20)23-18-22(29)13-14-24(23)31-28(26)35/h5-7,10-11,13-14,18,21H,3-4,8-9,12,15-17,19H2,1-2H3,(H,30,34)(H,31,35)/t21-/m1/s1
InChIKeyUCIOAOWXEZXYLF-OAQYLSRUSA-N
MW495.07 g/mol
LogP4.91
Rot. Bonds9

About (3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(diethylamino)propyl]piperidine-3-carboxamide

(3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(diethylamino)propyl]piperidine-3-carboxamide (PubChem CID 40816876) has the molecular formula C28H35ClN4O2 and a molecular weight of 495.07 g/mol. Its IUPAC name is (3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(diethylamino)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(diethylamino)propyl]piperidine-3-carboxamide
PubChem CID40816876
Molecular FormulaC28H35ClN4O2
Molecular Weight495.07 g/mol
Exact Mass494.24
IUPAC Name(3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(diethylamino)propyl]piperidine-3-carboxamide
SMILESCCN(CC)CCCNC(=O)[C@@H]1CCCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C1
InChIInChI=1S/C28H35ClN4O2/c1-3-32(4-2)16-9-15-30-27(34)21-12-8-17-33(19-21)26-25(20-10-6-5-7-11-20)23-18-22(29)13-14-24(23)31-28(26)35/h5-7,10-11,13-14,18,21H,3-4,8-9,12,15-17,19H2,1-2H3,(H,30,34)(H,31,35)/t21-/m1/s1
InChIKeyUCIOAOWXEZXYLF-OAQYLSRUSA-N
XLogP4.91
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.07
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(diethylamino)propyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 92823408
(3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-phenylpiperidine-3-carboxamide
CID 40814784
1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-cyclohexylpiperidine-3-carboxamide
CID 4874001
1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-cycloheptylpiperidine-3-carboxamide
CID 4874002
1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 4873996
1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 17038149
6-chloro-4-phenyl-3-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]-1H-quinolin-2-one
CID 40816906
(3S)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-(2,4-dimethylphenyl)piperidine-3-carboxamide
CID 41090197
6-chloro-3-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-4-phenyl-1H-quinolin-2-one
CID 40816912
6-chloro-3-[(3S)-3-[(2R)-2-methylpiperidine-1-carbonyl]piperidin-1-yl]-4-phenyl-1H-quinolin-2-one
CID 40816909
1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 4873987
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[3-(diethylamino)propyl]piperidine-3-carboxamide
CID 53070172

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(diethylamino)propyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(diethylamino)propyl]piperidine-3-carboxamide (CID 40816876) is (3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(diethylamino)propyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(diethylamino)propyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(diethylamino)propyl]piperidine-3-carboxamide is CCN(CC)CCCNC(=O)[C@@H]1CCCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C1.
What is the InChIKey of (3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(diethylamino)propyl]piperidine-3-carboxamide?
The InChIKey is UCIOAOWXEZXYLF-OAQYLSRUSA-N. The full InChI is InChI=1S/C28H35ClN4O2/c1-3-32(4-2)16-9-15-30-27(34)21-12-8-17-33(19-21)26-25(20-10-6-5-7-11-20)23-18-22(29)13-14-24(23)31-28(26)35/h5-7,10-11,13-14,18,21H,3-4,8-9,12,15-17,19H2,1-2H3,(H,30,34)(H,31,35)/t21-/m1/s1.
What are the key properties of (3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(diethylamino)propyl]piperidine-3-carboxamide?
(3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(diethylamino)propyl]piperidine-3-carboxamide has a molecular weight of 495.07 g/mol, XLogP of 4.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(diethylamino)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 40816876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).