6-(2-methyl-1-pyridin-3-ylbutyl)-3,4-dihydro-1H-quinolin-2-one

C19H22N2O — CID 19854649

IUPAC6-(2-methyl-1-pyridin-3-ylbutyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCC(C)C(c1cccnc1)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C19H22N2O/c1-3-13(2)19(16-5-4-10-20-12-16)15-6-8-17-14(11-15)7-9-18(22)21-17/h4-6,8,10-13,19H,3,7,9H2,1-2H3,(H,21,22)
InChIKeyCHUYQLUUXULFPH-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.14
Rot. Bonds4

About 6-(2-methyl-1-pyridin-3-ylbutyl)-3,4-dihydro-1H-quinolin-2-one

6-(2-methyl-1-pyridin-3-ylbutyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 19854649) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 6-(2-methyl-1-pyridin-3-ylbutyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(2-methyl-1-pyridin-3-ylbutyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID19854649
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name6-(2-methyl-1-pyridin-3-ylbutyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCC(C)C(c1cccnc1)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C19H22N2O/c1-3-13(2)19(16-5-4-10-20-12-16)15-6-8-17-14(11-15)7-9-18(22)21-17/h4-6,8,10-13,19H,3,7,9H2,1-2H3,(H,21,22)
InChIKeyCHUYQLUUXULFPH-UHFFFAOYSA-N
XLogP4.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-phenyl-1-pyridin-3-ylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854708
6-[(4-chlorophenyl)-pyridin-3-ylmethyl]-3,4-dihydro-1H-quinolin-2-one
CID 19854603
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridine-3-carboxamide
CID 166179612
2-[[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]-N-pyridin-3-ylacetamide
CID 97333641
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
6-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 116964107
2-[[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 97333628
6-fluoro-7-(1-pyridin-3-ylethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43723948
6-(1-bromo-3-methylpentyl)-3,4-dihydro-1H-quinolin-2-one
CID 114876110
5-[amino(pyridin-3-yl)methyl]-1,3-dihydroindol-2-one
CID 43198851
6-[(Z)-3-methyl-1-pyridin-3-ylbut-1-en-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 19854630
7-(1-bromopropyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61098978

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-1-pyridin-3-ylbutyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(2-methyl-1-pyridin-3-ylbutyl)-3,4-dihydro-1H-quinolin-2-one (CID 19854649) is 6-(2-methyl-1-pyridin-3-ylbutyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(2-methyl-1-pyridin-3-ylbutyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(2-methyl-1-pyridin-3-ylbutyl)-3,4-dihydro-1H-quinolin-2-one is CCC(C)C(c1cccnc1)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-(2-methyl-1-pyridin-3-ylbutyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CHUYQLUUXULFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-3-13(2)19(16-5-4-10-20-12-16)15-6-8-17-14(11-15)7-9-18(22)21-17/h4-6,8,10-13,19H,3,7,9H2,1-2H3,(H,21,22).
What are the key properties of 6-(2-methyl-1-pyridin-3-ylbutyl)-3,4-dihydro-1H-quinolin-2-one?
6-(2-methyl-1-pyridin-3-ylbutyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 294.40 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-1-pyridin-3-ylbutyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 19854649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).