6-[4-[3-(4-methylphenoxy)propyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

C24H29N3O3 — CID 13369783

IUPAC6-[4-[3-(4-methylphenoxy)propyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(OCCCN2CCN(C(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1
InChIInChI=1S/C24H29N3O3/c1-18-3-7-21(8-4-18)30-16-2-11-26-12-14-27(15-13-26)24(29)20-5-9-22-19(17-20)6-10-23(28)25-22/h3-5,7-9,17H,2,6,10-16H2,1H3,(H,25,28)
InChIKeyGNOLFFSTXOJYPN-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.11
Rot. Bonds6

About 6-[4-[3-(4-methylphenoxy)propyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

6-[4-[3-(4-methylphenoxy)propyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 13369783) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 6-[4-[3-(4-methylphenoxy)propyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[4-[3-(4-methylphenoxy)propyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID13369783
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name6-[4-[3-(4-methylphenoxy)propyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(OCCCN2CCN(C(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1
InChIInChI=1S/C24H29N3O3/c1-18-3-7-21(8-4-18)30-16-2-11-26-12-14-27(15-13-26)24(29)20-5-9-22-19(17-20)6-10-23(28)25-22/h3-5,7-9,17H,2,6,10-16H2,1H3,(H,25,28)
InChIKeyGNOLFFSTXOJYPN-UHFFFAOYSA-N
XLogP3.11
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(4-hexylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 13195369
6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 13369772
6-[4-[3-(4-methoxyphenyl)-3-oxopropyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrate;hydrochloride
CID 13369823
7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12899489
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 31641805
6-(3-piperazin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 13054218
6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 38047191
6-[4-[methyl(2-phenoxyethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 70047920
6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 110800015
6-[3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 14289489
5-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-2-phenylpentanenitrile;hydrochloride
CID 14881418
2-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31151766

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(4-methylphenoxy)propyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[4-[3-(4-methylphenoxy)propyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (CID 13369783) is 6-[4-[3-(4-methylphenoxy)propyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[4-[3-(4-methylphenoxy)propyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[4-[3-(4-methylphenoxy)propyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is Cc1ccc(OCCCN2CCN(C(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1.
What is the InChIKey of 6-[4-[3-(4-methylphenoxy)propyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is GNOLFFSTXOJYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-18-3-7-21(8-4-18)30-16-2-11-26-12-14-27(15-13-26)24(29)20-5-9-22-19(17-20)6-10-23(28)25-22/h3-5,7-9,17H,2,6,10-16H2,1H3,(H,25,28).
What are the key properties of 6-[4-[3-(4-methylphenoxy)propyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
6-[4-[3-(4-methylphenoxy)propyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 407.51 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(4-methylphenoxy)propyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 13369783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).