N-(3-chlorophenyl)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide

C21H23ClN4O2 — CID 110414498

IUPACN-(3-chlorophenyl)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide
SMILESCN1C(=O)CCc2cc(N3CCN(C(=O)Nc4cccc(Cl)c4)CC3)ccc21
InChIInChI=1S/C21H23ClN4O2/c1-24-19-7-6-18(13-15(19)5-8-20(24)27)25-9-11-26(12-10-25)21(28)23-17-4-2-3-16(22)14-17/h2-4,6-7,13-14H,5,8-12H2,1H3,(H,23,28)
InChIKeyCIKKIADKVBJHHW-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.60
Rot. Bonds2

About N-(3-chlorophenyl)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide

N-(3-chlorophenyl)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide (PubChem CID 110414498) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide
PubChem CID110414498
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC NameN-(3-chlorophenyl)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide
SMILESCN1C(=O)CCc2cc(N3CCN(C(=O)Nc4cccc(Cl)c4)CC3)ccc21
InChIInChI=1S/C21H23ClN4O2/c1-24-19-7-6-18(13-15(19)5-8-20(24)27)25-9-11-26(12-10-25)21(28)23-17-4-2-3-16(22)14-17/h2-4,6-7,13-14H,5,8-12H2,1H3,(H,23,28)
InChIKeyCIKKIADKVBJHHW-UHFFFAOYSA-N
XLogP3.60
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.60
H-Bond Donors ≤ 51
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

N-(3-chlorophenyl)-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide
CID 110640806
N-(3-chlorophenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111612
N-(3-chlorophenyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 5215586
N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide
CID 78819248
N-cyclohexyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide
CID 110640760
6-(4-butanoylpiperazin-1-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 110414460
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887
N-(3-chlorophenyl)-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide
CID 110361358
4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 851976
6-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one
CID 110640755
N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108990187
N-(3-chlorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383219

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide (CID 110414498) is N-(3-chlorophenyl)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide is CN1C(=O)CCc2cc(N3CCN(C(=O)Nc4cccc(Cl)c4)CC3)ccc21.
What is the InChIKey of N-(3-chlorophenyl)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide?
The InChIKey is CIKKIADKVBJHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-24-19-7-6-18(13-15(19)5-8-20(24)27)25-9-11-26(12-10-25)21(28)23-17-4-2-3-16(22)14-17/h2-4,6-7,13-14H,5,8-12H2,1H3,(H,23,28).
What are the key properties of N-(3-chlorophenyl)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide?
N-(3-chlorophenyl)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide has a molecular weight of 398.89 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide is sourced from PubChem (CID 110414498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).