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

C22H24N4O — CID 113107085

IUPAC4-[(4-methylphenyl)methyl]-N-quinolin-8-ylpiperazine-1-carboxamide
SMILESCc1ccc(CN2CCN(C(=O)Nc3cccc4cccnc34)CC2)cc1
InChIInChI=1S/C22H24N4O/c1-17-7-9-18(10-8-17)16-25-12-14-26(15-13-25)22(27)24-20-6-2-4-19-5-3-11-23-21(19)20/h2-11H,12-16H2,1H3,(H,24,27)
InChIKeyFVXIGOKLMGYNCZ-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.89
Rot. Bonds3

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

4-[(4-methylphenyl)methyl]-N-quinolin-8-ylpiperazine-1-carboxamide (PubChem CID 113107085) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methyl]-N-quinolin-8-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-methylphenyl)methyl]-N-quinolin-8-ylpiperazine-1-carboxamide
PubChem CID113107085
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name4-[(4-methylphenyl)methyl]-N-quinolin-8-ylpiperazine-1-carboxamide
SMILESCc1ccc(CN2CCN(C(=O)Nc3cccc4cccnc34)CC2)cc1
InChIInChI=1S/C22H24N4O/c1-17-7-9-18(10-8-17)16-25-12-14-26(15-13-25)22(27)24-20-6-2-4-19-5-3-11-23-21(19)20/h2-11H,12-16H2,1H3,(H,24,27)
InChIKeyFVXIGOKLMGYNCZ-UHFFFAOYSA-N
XLogP3.89
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylbutyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 48782141
4-[2-(3-chlorophenyl)ethyl]-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113110970
N-(2-chlorophenyl)-4-(quinolin-8-ylmethyl)piperazine-1-carboxamide
CID 55696987
2-[[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]amino]benzoic acid
CID 69297960
4-cyclopropyl-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113103496
N-(2,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 6466682
N-(2,6-difluorophenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 113107101
4-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113107020
4-acetamido-N-quinolin-8-ylpiperidine-1-carboxamide
CID 49468374
4-[4-(dimethylamino)phenyl]-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113114415
4-(3-acetylphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113114157
N-(2,4-dimethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113111498

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methyl]-N-quinolin-8-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[(4-methylphenyl)methyl]-N-quinolin-8-ylpiperazine-1-carboxamide (CID 113107085) is 4-[(4-methylphenyl)methyl]-N-quinolin-8-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(4-methylphenyl)methyl]-N-quinolin-8-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(4-methylphenyl)methyl]-N-quinolin-8-ylpiperazine-1-carboxamide is Cc1ccc(CN2CCN(C(=O)Nc3cccc4cccnc34)CC2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)methyl]-N-quinolin-8-ylpiperazine-1-carboxamide?
The InChIKey is FVXIGOKLMGYNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-17-7-9-18(10-8-17)16-25-12-14-26(15-13-25)22(27)24-20-6-2-4-19-5-3-11-23-21(19)20/h2-11H,12-16H2,1H3,(H,24,27).
What are the key properties of 4-[(4-methylphenyl)methyl]-N-quinolin-8-ylpiperazine-1-carboxamide?
4-[(4-methylphenyl)methyl]-N-quinolin-8-ylpiperazine-1-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methyl]-N-quinolin-8-ylpiperazine-1-carboxamide is sourced from PubChem (CID 113107085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).