N-[(4-chlorophenyl)methyl]-4-quinolin-8-ylpiperazine-1-carboxamide

C21H21ClN4O — CID 113107984

IUPACN-[(4-chlorophenyl)methyl]-4-quinolin-8-ylpiperazine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)N1CCN(c2cccc3cccnc23)CC1
InChIInChI=1S/C21H21ClN4O/c22-18-8-6-16(7-9-18)15-24-21(27)26-13-11-25(12-14-26)19-5-1-3-17-4-2-10-23-20(17)19/h1-10H,11-15H2,(H,24,27)
InChIKeyLQIPHXRVZOSJIU-UHFFFAOYSA-N
MW380.88 g/mol
LogP3.92
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-4-quinolin-8-ylpiperazine-1-carboxamide

N-[(4-chlorophenyl)methyl]-4-quinolin-8-ylpiperazine-1-carboxamide (PubChem CID 113107984) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-quinolin-8-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-quinolin-8-ylpiperazine-1-carboxamide
PubChem CID113107984
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC NameN-[(4-chlorophenyl)methyl]-4-quinolin-8-ylpiperazine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)N1CCN(c2cccc3cccnc23)CC1
InChIInChI=1S/C21H21ClN4O/c22-18-8-6-16(7-9-18)15-24-21(27)26-13-11-25(12-14-26)19-5-1-3-17-4-2-10-23-20(17)19/h1-10H,11-15H2,(H,24,27)
InChIKeyLQIPHXRVZOSJIU-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113103296
N-(2-methylpropyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113104125
N-(4-ethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113112168
N-[(4-chlorophenyl)methyl]-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113107948
N-cycloheptyl-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113110634
1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one
CID 113079712
4-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108791
(2-chloro-6-fluorophenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone
CID 113079758
4-(2,3-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107696
N-(1-phenylethyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113107350
N-[(4-chlorophenyl)methyl]-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108507791
N-benzyl-4-(2,5-dichlorophenyl)piperazine-1-carboxamide
CID 113106629

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-quinolin-8-ylpiperazine-1-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-quinolin-8-ylpiperazine-1-carboxamide (CID 113107984) is N-[(4-chlorophenyl)methyl]-4-quinolin-8-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-quinolin-8-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-quinolin-8-ylpiperazine-1-carboxamide is O=C(NCc1ccc(Cl)cc1)N1CCN(c2cccc3cccnc23)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-quinolin-8-ylpiperazine-1-carboxamide?
The InChIKey is LQIPHXRVZOSJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c22-18-8-6-16(7-9-18)15-24-21(27)26-13-11-25(12-14-26)19-5-1-3-17-4-2-10-23-20(17)19/h1-10H,11-15H2,(H,24,27).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-quinolin-8-ylpiperazine-1-carboxamide?
N-[(4-chlorophenyl)methyl]-4-quinolin-8-ylpiperazine-1-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-quinolin-8-ylpiperazine-1-carboxamide is sourced from PubChem (CID 113107984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).