5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)pyridine-3-carboxamide

C20H23N3O3 — CID 109103635

IUPAC5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1cncc(C(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C20H23N3O3/c1-26-11-5-9-22-19(24)16-12-17(14-21-13-16)20(25)23-10-4-7-15-6-2-3-8-18(15)23/h2-3,6,8,12-14H,4-5,7,9-11H2,1H3,(H,22,24)
InChIKeyCOJKUFGDFBAXSF-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.44
Rot. Bonds6

About 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)pyridine-3-carboxamide

5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)pyridine-3-carboxamide (PubChem CID 109103635) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)pyridine-3-carboxamide
PubChem CID109103635
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1cncc(C(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C20H23N3O3/c1-26-11-5-9-22-19(24)16-12-17(14-21-13-16)20(25)23-10-4-7-15-6-2-3-8-18(15)23/h2-3,6,8,12-14H,4-5,7,9-11H2,1H3,(H,22,24)
InChIKeyCOJKUFGDFBAXSF-UHFFFAOYSA-N
XLogP2.44
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2-methoxyethyl)benzamide
CID 109052567
N-butan-2-yl-5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxamide
CID 109102375
2,3-dihydroindol-1-yl-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109227903
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109069144
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 109108174
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227719
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide
CID 109056273
N-butyl-4-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide
CID 109043735
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide
CID 109048720
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109108184
5-(2,3-dihydroindole-1-carbonyl)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109105747
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109106503

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)pyridine-3-carboxamide (CID 109103635) is 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)pyridine-3-carboxamide is COCCCNC(=O)c1cncc(C(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)pyridine-3-carboxamide?
The InChIKey is COJKUFGDFBAXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-26-11-5-9-22-19(24)16-12-17(14-21-13-16)20(25)23-10-4-7-15-6-2-3-8-18(15)23/h2-3,6,8,12-14H,4-5,7,9-11H2,1H3,(H,22,24).
What are the key properties of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)pyridine-3-carboxamide?
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)pyridine-3-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 109103635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).