N-(2-chlorophenyl)-4-(quinolin-8-ylmethyl)piperazine-1-carboxamide

C21H21ClN4O — CID 55696987

IUPACN-(2-chlorophenyl)-4-(quinolin-8-ylmethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCN(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C21H21ClN4O/c22-18-8-1-2-9-19(18)24-21(27)26-13-11-25(12-14-26)15-17-6-3-5-16-7-4-10-23-20(16)17/h1-10H,11-15H2,(H,24,27)
InChIKeyWDAKCVUZVAWOFF-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.24
Rot. Bonds3

About N-(2-chlorophenyl)-4-(quinolin-8-ylmethyl)piperazine-1-carboxamide

N-(2-chlorophenyl)-4-(quinolin-8-ylmethyl)piperazine-1-carboxamide (PubChem CID 55696987) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(quinolin-8-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(quinolin-8-ylmethyl)piperazine-1-carboxamide
PubChem CID55696987
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC NameN-(2-chlorophenyl)-4-(quinolin-8-ylmethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCN(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C21H21ClN4O/c22-18-8-1-2-9-19(18)24-21(27)26-13-11-25(12-14-26)15-17-6-3-5-16-7-4-10-23-20(16)17/h1-10H,11-15H2,(H,24,27)
InChIKeyWDAKCVUZVAWOFF-UHFFFAOYSA-N
XLogP4.24
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-4-[(2,3-dibromophenyl)methyl]piperazine-1-carboxamide
CID 141151957
4-[(4-methylphenyl)methyl]-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113107085
4-[(2-chlorophenyl)methyl]-N-(2,5-dichlorophenyl)piperazine-1-carboxamide
CID 113107765
N-(2-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
CID 6466390
4-[2-(3-chlorophenyl)ethyl]-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113110970
2,3-dichloro-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide
CID 55740337
(4-phenylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16609697
3-phenyl-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-1-one
CID 51336494
4-(3-methylbutyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 48782141
2-naphthalen-1-yl-N-[2-oxo-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethyl]acetamide
CID 16623035
8-[4-[4-[(2-chlorophenyl)carbamoyl]piperazine-1-carbonyl]-N-sulfinoanilino]quinoline
CID 174659083
methyl 2-[[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 113107758

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(quinolin-8-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-(quinolin-8-ylmethyl)piperazine-1-carboxamide (CID 55696987) is N-(2-chlorophenyl)-4-(quinolin-8-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(quinolin-8-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(quinolin-8-ylmethyl)piperazine-1-carboxamide is O=C(Nc1ccccc1Cl)N1CCN(Cc2cccc3cccnc23)CC1.
What is the InChIKey of N-(2-chlorophenyl)-4-(quinolin-8-ylmethyl)piperazine-1-carboxamide?
The InChIKey is WDAKCVUZVAWOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c22-18-8-1-2-9-19(18)24-21(27)26-13-11-25(12-14-26)15-17-6-3-5-16-7-4-10-23-20(16)17/h1-10H,11-15H2,(H,24,27).
What are the key properties of N-(2-chlorophenyl)-4-(quinolin-8-ylmethyl)piperazine-1-carboxamide?
N-(2-chlorophenyl)-4-(quinolin-8-ylmethyl)piperazine-1-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(quinolin-8-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 55696987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).