6-[4-[methyl(2-phenoxyethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride

C24H30ClN3O3 — CID 70047920

IUPAC6-[4-[methyl(2-phenoxyethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCN(CCOc1ccccc1)C1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1.Cl
InChIInChI=1S/C24H29N3O3.ClH/c1-26(15-16-30-21-5-3-2-4-6-21)20-11-13-27(14-12-20)24(29)19-7-9-22-18(17-19)8-10-23(28)25-22;/h2-7,9,17,20H,8,10-16H2,1H3,(H,25,28);1H
InChIKeyDHVUGMZFNABYEC-UHFFFAOYSA-N
MW443.98 g/mol
LogP3.61
Rot. Bonds6

About 6-[4-[methyl(2-phenoxyethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride

6-[4-[methyl(2-phenoxyethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride (PubChem CID 70047920) has the molecular formula C24H30ClN3O3 and a molecular weight of 443.98 g/mol. Its IUPAC name is 6-[4-[methyl(2-phenoxyethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name6-[4-[methyl(2-phenoxyethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
PubChem CID70047920
Molecular FormulaC24H30ClN3O3
Molecular Weight443.98 g/mol
Exact Mass443.20
IUPAC Name6-[4-[methyl(2-phenoxyethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCN(CCOc1ccccc1)C1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1.Cl
InChIInChI=1S/C24H29N3O3.ClH/c1-26(15-16-30-21-5-3-2-4-6-21)20-11-13-27(14-12-20)24(29)19-7-9-22-18(17-19)8-10-23(28)25-22;/h2-7,9,17,20H,8,10-16H2,1H3,(H,25,28);1H
InChIKeyDHVUGMZFNABYEC-UHFFFAOYSA-N
XLogP3.61
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.98
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[4-[methyl(2-phenoxyethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride with MolForge

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Related Compounds

6-[4-[3-(4-methylphenoxy)propyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 13369783
6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 38047191
N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(2-phenoxyethyl)butanamide
CID 31905955
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 31641805
6-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 103806132
6-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 86911989
6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 110800015
6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 13369772
2-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31151766
6-(3-methylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 119577687
6-(3-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 103605924
6-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 110815253

Frequently Asked Questions

What is the IUPAC name of 6-[4-[methyl(2-phenoxyethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 6-[4-[methyl(2-phenoxyethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride (CID 70047920) is 6-[4-[methyl(2-phenoxyethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 6-[4-[methyl(2-phenoxyethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 6-[4-[methyl(2-phenoxyethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride is CN(CCOc1ccccc1)C1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1.Cl.
What is the InChIKey of 6-[4-[methyl(2-phenoxyethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The InChIKey is DHVUGMZFNABYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3.ClH/c1-26(15-16-30-21-5-3-2-4-6-21)20-11-13-27(14-12-20)24(29)19-7-9-22-18(17-19)8-10-23(28)25-22;/h2-7,9,17,20H,8,10-16H2,1H3,(H,25,28);1H.
What are the key properties of 6-[4-[methyl(2-phenoxyethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
6-[4-[methyl(2-phenoxyethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride has a molecular weight of 443.98 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[methyl(2-phenoxyethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 70047920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).