6-[[4-(azepan-1-yl)-4-oxobutan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one

C19H27N3O2 — CID 75472339

IUPAC6-[[4-(azepan-1-yl)-4-oxobutan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(CC(=O)N1CCCCCC1)Nc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C19H27N3O2/c1-14(12-19(24)22-10-4-2-3-5-11-22)20-16-7-8-17-15(13-16)6-9-18(23)21-17/h7-8,13-14,20H,2-6,9-12H2,1H3,(H,21,23)
InChIKeyRTVLMWZPUJLQRO-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.16
Rot. Bonds4

About 6-[[4-(azepan-1-yl)-4-oxobutan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one

6-[[4-(azepan-1-yl)-4-oxobutan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 75472339) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 6-[[4-(azepan-1-yl)-4-oxobutan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[[4-(azepan-1-yl)-4-oxobutan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID75472339
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name6-[[4-(azepan-1-yl)-4-oxobutan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(CC(=O)N1CCCCCC1)Nc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C19H27N3O2/c1-14(12-19(24)22-10-4-2-3-5-11-22)20-16-7-8-17-15(13-16)6-9-18(23)21-17/h7-8,13-14,20H,2-6,9-12H2,1H3,(H,21,23)
InChIKeyRTVLMWZPUJLQRO-UHFFFAOYSA-N
XLogP3.16
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[[4-(azepan-1-yl)-4-oxobutan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-(1-methylsulfonylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 64629940
6-(3-methylbutan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43737992
6-[[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 34310061
3-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 60837196
6-(3-methylbutylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43737958
6-[2-oxo-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 167776309
6-[1-(4-hydroxyphenyl)ethylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43737991
2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 107903528
5-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-propan-2-ylpyrrolidine-3-carboxamide
CID 86929823
6-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one
CID 110801831
2-(4-ethylpiperazin-1-yl)-2-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 87039947
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55629961

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(azepan-1-yl)-4-oxobutan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[[4-(azepan-1-yl)-4-oxobutan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one (CID 75472339) is 6-[[4-(azepan-1-yl)-4-oxobutan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[[4-(azepan-1-yl)-4-oxobutan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[[4-(azepan-1-yl)-4-oxobutan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one is CC(CC(=O)N1CCCCCC1)Nc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[[4-(azepan-1-yl)-4-oxobutan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is RTVLMWZPUJLQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14(12-19(24)22-10-4-2-3-5-11-22)20-16-7-8-17-15(13-16)6-9-18(23)21-17/h7-8,13-14,20H,2-6,9-12H2,1H3,(H,21,23).
What are the key properties of 6-[[4-(azepan-1-yl)-4-oxobutan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
6-[[4-(azepan-1-yl)-4-oxobutan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 329.44 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(azepan-1-yl)-4-oxobutan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 75472339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).