6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one

C18H23N3O3 — CID 110800015

IUPAC6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCCC(=O)N1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C18H23N3O3/c1-2-3-17(23)20-8-10-21(11-9-20)18(24)14-4-6-15-13(12-14)5-7-16(22)19-15/h4,6,12H,2-3,5,7-11H2,1H3,(H,19,22)
InChIKeyRMWWXAGITQEOTR-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.66
Rot. Bonds3

About 6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one

6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 110800015) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID110800015
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCCC(=O)N1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C18H23N3O3/c1-2-3-17(23)20-8-10-21(11-9-20)18(24)14-4-6-15-13(12-14)5-7-16(22)19-15/h4,6,12H,2-3,5,7-11H2,1H3,(H,19,22)
InChIKeyRMWWXAGITQEOTR-UHFFFAOYSA-N
XLogP1.66
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-hexylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 13195369
6-(4-propylsulfonylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 110804837
6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 13369772
4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-N-propyl-1,4-diazepane-1-carboxamide
CID 110813513
6-(1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 95475622
6-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 110815253
6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 38047191
6-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 86911989
6-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 31281845
6-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 15789043
6-[4-[3-(4-methoxyphenyl)-3-oxopropyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrate;hydrochloride
CID 13369823
6-[4-(cyclopentanecarbonyl)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 110807504

Frequently Asked Questions

What is the IUPAC name of 6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one (CID 110800015) is 6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one is CCCC(=O)N1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1.
What is the InChIKey of 6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is RMWWXAGITQEOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-2-3-17(23)20-8-10-21(11-9-20)18(24)14-4-6-15-13(12-14)5-7-16(22)19-15/h4,6,12H,2-3,5,7-11H2,1H3,(H,19,22).
What are the key properties of 6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 329.40 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 110800015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).