N-benzyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide

C21H24N4O2 — CID 110640813

IUPACN-benzyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide
SMILESO=C1CCc2cc(N3CCN(C(=O)NCc4ccccc4)CC3)ccc2N1
InChIInChI=1S/C21H24N4O2/c26-20-9-6-17-14-18(7-8-19(17)23-20)24-10-12-25(13-11-24)21(27)22-15-16-4-2-1-3-5-16/h1-5,7-8,14H,6,9-13,15H2,(H,22,27)(H,23,26)
InChIKeyXAMGJQLYLHPXDO-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.60
Rot. Bonds3

About N-benzyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide

N-benzyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide (PubChem CID 110640813) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-benzyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide
PubChem CID110640813
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-benzyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide
SMILESO=C1CCc2cc(N3CCN(C(=O)NCc4ccccc4)CC3)ccc2N1
InChIInChI=1S/C21H24N4O2/c26-20-9-6-17-14-18(7-8-19(17)23-20)24-10-12-25(13-11-24)21(27)22-15-16-4-2-1-3-5-16/h1-5,7-8,14H,6,9-13,15H2,(H,22,27)(H,23,26)
InChIKeyXAMGJQLYLHPXDO-UHFFFAOYSA-N
XLogP2.60
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea
CID 110775001
N-(3-chlorophenyl)-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide
CID 110640806
4-[4-(benzylcarbamoyl)piperazin-1-yl]benzoic acid
CID 15356133
benzyl 4-(2-oxo-1,3-dihydroindol-5-yl)piperazine-1-carboxylate
CID 110414727
N-benzyl-4-(4-bromophenyl)piperazine-1-carboxamide
CID 113106592
N-benzyl-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 110363825
6-[4-(3-chlorobenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 13236324
6-[[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 34310061
6-[4-[(E)-but-2-enyl]piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 13236323
1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-phenylurea
CID 110774998
6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 100934263
N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 110301195

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide?
The IUPAC name of N-benzyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide (CID 110640813) is N-benzyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide?
The canonical SMILES for N-benzyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide is O=C1CCc2cc(N3CCN(C(=O)NCc4ccccc4)CC3)ccc2N1.
What is the InChIKey of N-benzyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide?
The InChIKey is XAMGJQLYLHPXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-20-9-6-17-14-18(7-8-19(17)23-20)24-10-12-25(13-11-24)21(27)22-15-16-4-2-1-3-5-16/h1-5,7-8,14H,6,9-13,15H2,(H,22,27)(H,23,26).
What are the key properties of N-benzyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide?
N-benzyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide is sourced from PubChem (CID 110640813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).