(4S)-6-methoxy-2-oxo-N-(4-pyridin-2-ylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide

C20H23N3O3 — CID 97147593

IUPAC(4S)-6-methoxy-2-oxo-N-(4-pyridin-2-ylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCOc1ccc2c(c1)[C@@H](C(=O)NCCCCc1ccccn1)CC(=O)N2
InChIInChI=1S/C20H23N3O3/c1-26-15-8-9-18-16(12-15)17(13-19(24)23-18)20(25)22-11-5-3-7-14-6-2-4-10-21-14/h2,4,6,8-10,12,17H,3,5,7,11,13H2,1H3,(H,22,25)(H,23,24)/t17-/m0/s1
InChIKeyVJJWNMQKEFZBKK-KRWDZBQOSA-N
MW353.42 g/mol
LogP2.66
Rot. Bonds7

About (4S)-6-methoxy-2-oxo-N-(4-pyridin-2-ylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide

(4S)-6-methoxy-2-oxo-N-(4-pyridin-2-ylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 97147593) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (4S)-6-methoxy-2-oxo-N-(4-pyridin-2-ylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4S)-6-methoxy-2-oxo-N-(4-pyridin-2-ylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID97147593
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(4S)-6-methoxy-2-oxo-N-(4-pyridin-2-ylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCOc1ccc2c(c1)[C@@H](C(=O)NCCCCc1ccccn1)CC(=O)N2
InChIInChI=1S/C20H23N3O3/c1-26-15-8-9-18-16(12-15)17(13-19(24)23-18)20(25)22-11-5-3-7-14-6-2-4-10-21-14/h2,4,6,8-10,12,17H,3,5,7,11,13H2,1H3,(H,22,25)(H,23,24)/t17-/m0/s1
InChIKeyVJJWNMQKEFZBKK-KRWDZBQOSA-N
XLogP2.66
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4S)-6-methoxy-2-oxo-N-(4-pyridin-2-ylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-methoxy-2-oxo-N-(4-pyridin-2-ylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70773066
N-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70767350
(4S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97127436
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70729514
6-methoxy-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70752855
(4R)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 95120815
2,2,3,3-tetramethyl-N-(4-pyridin-2-ylbutyl)cyclopropane-1-carboxamide
CID 11173396
(4R)-N-(1H-indol-5-ylmethyl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97123757
6-methoxy-2-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70778095
(4R)-6-methoxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97144072
4-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-6-methoxy-3,4-dihydro-1H-quinolin-2-one
CID 70749955
formic acid;6-methoxy-2-oxo-N-(4-phenyl-1H-pyrazol-5-yl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 163340603

Frequently Asked Questions

What is the IUPAC name of (4S)-6-methoxy-2-oxo-N-(4-pyridin-2-ylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4S)-6-methoxy-2-oxo-N-(4-pyridin-2-ylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide (CID 97147593) is (4S)-6-methoxy-2-oxo-N-(4-pyridin-2-ylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4S)-6-methoxy-2-oxo-N-(4-pyridin-2-ylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4S)-6-methoxy-2-oxo-N-(4-pyridin-2-ylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide is COc1ccc2c(c1)[C@@H](C(=O)NCCCCc1ccccn1)CC(=O)N2.
What is the InChIKey of (4S)-6-methoxy-2-oxo-N-(4-pyridin-2-ylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is VJJWNMQKEFZBKK-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-26-15-8-9-18-16(12-15)17(13-19(24)23-18)20(25)22-11-5-3-7-14-6-2-4-10-21-14/h2,4,6,8-10,12,17H,3,5,7,11,13H2,1H3,(H,22,25)(H,23,24)/t17-/m0/s1.
What are the key properties of (4S)-6-methoxy-2-oxo-N-(4-pyridin-2-ylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
(4S)-6-methoxy-2-oxo-N-(4-pyridin-2-ylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-methoxy-2-oxo-N-(4-pyridin-2-ylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 97147593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).