5-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide

C18H21N3O2 — CID 109227719

IUPAC5-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cncc(N2CCCc3ccccc32)c1
InChIInChI=1S/C18H21N3O2/c1-23-10-8-20-18(22)15-11-16(13-19-12-15)21-9-4-6-14-5-2-3-7-17(14)21/h2-3,5,7,11-13H,4,6,8-10H2,1H3,(H,20,22)
InChIKeyKEBPQYJLKHQDSL-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.54
Rot. Bonds5

About 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide

5-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide (PubChem CID 109227719) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
PubChem CID109227719
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name5-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cncc(N2CCCc3ccccc32)c1
InChIInChI=1S/C18H21N3O2/c1-23-10-8-20-18(22)15-11-16(13-19-12-15)21-9-4-6-14-5-2-3-7-17(14)21/h2-3,5,7,11-13H,4,6,8-10H2,1H3,(H,20,22)
InChIKeyKEBPQYJLKHQDSL-UHFFFAOYSA-N
XLogP2.54
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.54
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

N-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide
CID 109224434
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205740
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109242623
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109242624
N-(2,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide
CID 109242657
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109103635
5-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235536
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2-methoxyethyl)benzamide
CID 109052567
5-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109242491
N-(3-acetamidophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109242505
N-(3-acetylphenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109242503
3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836165

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide (CID 109227719) is 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide is COCCNC(=O)c1cncc(N2CCCc3ccccc32)c1.
What is the InChIKey of 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide?
The InChIKey is KEBPQYJLKHQDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-23-10-8-20-18(22)15-11-16(13-19-12-15)21-9-4-6-14-5-2-3-7-17(14)21/h2-3,5,7,11-13H,4,6,8-10H2,1H3,(H,20,22).
What are the key properties of 5-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide?
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.54, 5 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-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109227719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).