6-(3,4-dihydro-2H-quinolin-1-yl)-N-prop-2-enylpyridine-2-carboxamide

C18H19N3O — CID 84574378

IUPAC6-(3,4-dihydro-2H-quinolin-1-yl)-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCNC(=O)c1cccc(N2CCCc3ccccc32)n1
InChIInChI=1S/C18H19N3O/c1-2-12-19-18(22)15-9-5-11-17(20-15)21-13-6-8-14-7-3-4-10-16(14)21/h2-5,7,9-11H,1,6,8,12-13H2,(H,19,22)
InChIKeyBOQSDEIZHCZWGK-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.08
Rot. Bonds4

About 6-(3,4-dihydro-2H-quinolin-1-yl)-N-prop-2-enylpyridine-2-carboxamide

6-(3,4-dihydro-2H-quinolin-1-yl)-N-prop-2-enylpyridine-2-carboxamide (PubChem CID 84574378) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-quinolin-1-yl)-N-prop-2-enylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-quinolin-1-yl)-N-prop-2-enylpyridine-2-carboxamide
PubChem CID84574378
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name6-(3,4-dihydro-2H-quinolin-1-yl)-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCNC(=O)c1cccc(N2CCCc3ccccc32)n1
InChIInChI=1S/C18H19N3O/c1-2-12-19-18(22)15-9-5-11-17(20-15)21-13-6-8-14-7-3-4-10-16(14)21/h2-5,7,9-11H,1,6,8,12-13H2,(H,19,22)
InChIKeyBOQSDEIZHCZWGK-UHFFFAOYSA-N
XLogP3.08
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(azepan-1-yl)-N-prop-2-enylpyridine-2-carboxamide
CID 84575175
N-cyclohexyl-6-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 84574195
6-(2,3-dihydroindol-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide
CID 84574320
4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine
CID 112933469
6-(3,4-dihydro-2H-quinolin-1-yl)-N-propylpyrimidine-4-carboxamide
CID 109338531
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-prop-2-enylacetamide
CID 100831100
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide
CID 84574490
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121417
6-(3,4-dihydro-2H-quinolin-1-yl)-N-[(3-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118401
6-(2,3-dihydroindol-1-yl)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 84574227
N-[2-(cyclohexen-1-yl)ethyl]-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109364580
6-N-cyclohexyl-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094007

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-yl)-N-prop-2-enylpyridine-2-carboxamide?
The IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-yl)-N-prop-2-enylpyridine-2-carboxamide (CID 84574378) is 6-(3,4-dihydro-2H-quinolin-1-yl)-N-prop-2-enylpyridine-2-carboxamide.
What is the SMILES notation for 6-(3,4-dihydro-2H-quinolin-1-yl)-N-prop-2-enylpyridine-2-carboxamide?
The canonical SMILES for 6-(3,4-dihydro-2H-quinolin-1-yl)-N-prop-2-enylpyridine-2-carboxamide is C=CCNC(=O)c1cccc(N2CCCc3ccccc32)n1.
What is the InChIKey of 6-(3,4-dihydro-2H-quinolin-1-yl)-N-prop-2-enylpyridine-2-carboxamide?
The InChIKey is BOQSDEIZHCZWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-12-19-18(22)15-9-5-11-17(20-15)21-13-6-8-14-7-3-4-10-16(14)21/h2-5,7,9-11H,1,6,8,12-13H2,(H,19,22).
What are the key properties of 6-(3,4-dihydro-2H-quinolin-1-yl)-N-prop-2-enylpyridine-2-carboxamide?
6-(3,4-dihydro-2H-quinolin-1-yl)-N-prop-2-enylpyridine-2-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-2H-quinolin-1-yl)-N-prop-2-enylpyridine-2-carboxamide is sourced from PubChem (CID 84574378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).