1-[2-(6-chloro-3-pyridinyl)acetyl]-N-phenyl-3,4-dihydro-2H-quinoline-2-carboxamide

C23H20ClN3O2 — CID 86933914

IUPAC1-[2-(6-chloro-3-pyridinyl)acetyl]-N-phenyl-3,4-dihydro-2H-quinoline-2-carboxamide
SMILESO=C(Nc1ccccc1)C1CCc2ccccc2N1C(=O)Cc1ccc(Cl)nc1
InChIInChI=1S/C23H20ClN3O2/c24-21-13-10-16(15-25-21)14-22(28)27-19-9-5-4-6-17(19)11-12-20(27)23(29)26-18-7-2-1-3-8-18/h1-10,13,15,20H,11-12,14H2,(H,26,29)
InChIKeyPFSVJOIGFLDFEV-UHFFFAOYSA-N
MW405.89 g/mol
LogP4.26
Rot. Bonds4

About 1-[2-(6-chloro-3-pyridinyl)acetyl]-N-phenyl-3,4-dihydro-2H-quinoline-2-carboxamide

1-[2-(6-chloro-3-pyridinyl)acetyl]-N-phenyl-3,4-dihydro-2H-quinoline-2-carboxamide (PubChem CID 86933914) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is 1-[2-(6-chloro-3-pyridinyl)acetyl]-N-phenyl-3,4-dihydro-2H-quinoline-2-carboxamide.

Molecular Properties

Compound Name1-[2-(6-chloro-3-pyridinyl)acetyl]-N-phenyl-3,4-dihydro-2H-quinoline-2-carboxamide
PubChem CID86933914
Molecular FormulaC23H20ClN3O2
Molecular Weight405.89 g/mol
Exact Mass405.12
IUPAC Name1-[2-(6-chloro-3-pyridinyl)acetyl]-N-phenyl-3,4-dihydro-2H-quinoline-2-carboxamide
SMILESO=C(Nc1ccccc1)C1CCc2ccccc2N1C(=O)Cc1ccc(Cl)nc1
InChIInChI=1S/C23H20ClN3O2/c24-21-13-10-16(15-25-21)14-22(28)27-19-9-5-4-6-17(19)11-12-20(27)23(29)26-18-7-2-1-3-8-18/h1-10,13,15,20H,11-12,14H2,(H,26,29)
InChIKeyPFSVJOIGFLDFEV-UHFFFAOYSA-N
XLogP4.26
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[2-(6-chloro-3-pyridinyl)acetyl]-N-(4-methylphenyl)-3,4-dihydro-2H-quinoline-2-carboxamide
CID 86933892
(2S)-1-[(3R)-1,1-dioxothiolane-3-carbonyl]-N-phenyl-3,4-dihydro-2H-quinoline-2-carboxamide
CID 100669966
(2R)-N-(4-methylphenyl)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-2-carboxamide
CID 52506946
N-(4-methylphenyl)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-2-carboxamide
CID 47093060
1-acetyl-N-[3,5-bis(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-2-carboxamide
CID 127043076
1-acetyl-N-(4-ethylphenyl)-2,3-dihydroindole-2-carboxamide
CID 20954321
2-(4-chlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 41066115
benzyl (5R)-2-oxo-5-(phenylcarbamoyl)pyrrolidine-1-carboxylate
CID 684653
(2S)-1-(6-chloropyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 61144897
1-[2-[2-(6-chloro-3-pyridinyl)acetyl]-3,4-dihydro-1H-isoquinolin-5-yl]-3-(4-methylphenyl)urea
CID 86936082
(2S)-1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]-N-(2-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide
CID 52530092
2-[4-(difluoromethoxy)phenyl]-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 112773359

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-chloro-3-pyridinyl)acetyl]-N-phenyl-3,4-dihydro-2H-quinoline-2-carboxamide?
The IUPAC name of 1-[2-(6-chloro-3-pyridinyl)acetyl]-N-phenyl-3,4-dihydro-2H-quinoline-2-carboxamide (CID 86933914) is 1-[2-(6-chloro-3-pyridinyl)acetyl]-N-phenyl-3,4-dihydro-2H-quinoline-2-carboxamide.
What is the SMILES notation for 1-[2-(6-chloro-3-pyridinyl)acetyl]-N-phenyl-3,4-dihydro-2H-quinoline-2-carboxamide?
The canonical SMILES for 1-[2-(6-chloro-3-pyridinyl)acetyl]-N-phenyl-3,4-dihydro-2H-quinoline-2-carboxamide is O=C(Nc1ccccc1)C1CCc2ccccc2N1C(=O)Cc1ccc(Cl)nc1.
What is the InChIKey of 1-[2-(6-chloro-3-pyridinyl)acetyl]-N-phenyl-3,4-dihydro-2H-quinoline-2-carboxamide?
The InChIKey is PFSVJOIGFLDFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c24-21-13-10-16(15-25-21)14-22(28)27-19-9-5-4-6-17(19)11-12-20(27)23(29)26-18-7-2-1-3-8-18/h1-10,13,15,20H,11-12,14H2,(H,26,29).
What are the key properties of 1-[2-(6-chloro-3-pyridinyl)acetyl]-N-phenyl-3,4-dihydro-2H-quinoline-2-carboxamide?
1-[2-(6-chloro-3-pyridinyl)acetyl]-N-phenyl-3,4-dihydro-2H-quinoline-2-carboxamide has a molecular weight of 405.89 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-chloro-3-pyridinyl)acetyl]-N-phenyl-3,4-dihydro-2H-quinoline-2-carboxamide is sourced from PubChem (CID 86933914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).