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

C20H29N3O2 — CID 13195369

IUPAC6-(4-hexylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCCCCCN1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C20H29N3O2/c1-2-3-4-5-10-22-11-13-23(14-12-22)20(25)17-6-8-18-16(15-17)7-9-19(24)21-18/h6,8,15H,2-5,7,9-14H2,1H3,(H,21,24)
InChIKeyWNBXYPHVSBXLGV-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.91
Rot. Bonds6

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

6-(4-hexylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 13195369) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 6-(4-hexylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(4-hexylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID13195369
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name6-(4-hexylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCCCCCN1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C20H29N3O2/c1-2-3-4-5-10-22-11-13-23(14-12-22)20(25)17-6-8-18-16(15-17)7-9-19(24)21-18/h6,8,15H,2-5,7,9-14H2,1H3,(H,21,24)
InChIKeyWNBXYPHVSBXLGV-UHFFFAOYSA-N
XLogP2.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 13369772
6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 110800015
6-[4-[3-(4-methylphenoxy)propyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 13369783
6-(4-propylsulfonylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 110804837
4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-N-propyl-1,4-diazepane-1-carboxamide
CID 110813513
6-[4-[3-(4-methoxyphenyl)-3-oxopropyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrate;hydrochloride
CID 13369823
5-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-2-phenylpentanenitrile;hydrochloride
CID 14881418
6-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 31281845
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
1-methyl-7-(4-propylpiperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 126770699
6-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 86911989

Frequently Asked Questions

What is the IUPAC name of 6-(4-hexylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(4-hexylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one (CID 13195369) is 6-(4-hexylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(4-hexylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(4-hexylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one is CCCCCCN1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1.
What is the InChIKey of 6-(4-hexylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WNBXYPHVSBXLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-2-3-4-5-10-22-11-13-23(14-12-22)20(25)17-6-8-18-16(15-17)7-9-19(24)21-18/h6,8,15H,2-5,7,9-14H2,1H3,(H,21,24).
What are the key properties of 6-(4-hexylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
6-(4-hexylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 343.47 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hexylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 13195369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).