4-(3-acetylphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide

C22H22N4O2 — CID 113114157

IUPAC4-(3-acetylphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide
SMILESCC(=O)c1cccc(N2CCN(C(=O)Nc3cccc4cccnc34)CC2)c1
InChIInChI=1S/C22H22N4O2/c1-16(27)18-6-2-8-19(15-18)25-11-13-26(14-12-25)22(28)24-20-9-3-5-17-7-4-10-23-21(17)20/h2-10,15H,11-14H2,1H3,(H,24,28)
InChIKeyIJNCUAXAANKULE-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.79
Rot. Bonds3

About 4-(3-acetylphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide

4-(3-acetylphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide (PubChem CID 113114157) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-(3-acetylphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-acetylphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide
PubChem CID113114157
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name4-(3-acetylphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide
SMILESCC(=O)c1cccc(N2CCN(C(=O)Nc3cccc4cccnc34)CC2)c1
InChIInChI=1S/C22H22N4O2/c1-16(27)18-6-2-8-19(15-18)25-11-13-26(14-12-25)22(28)24-20-9-3-5-17-7-4-10-23-21(17)20/h2-10,15H,11-14H2,1H3,(H,24,28)
InChIKeyIJNCUAXAANKULE-UHFFFAOYSA-N
XLogP3.79
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(dimethylamino)phenyl]-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113114415
4-cyclopropyl-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113103496
4-(3,4-dimethoxybenzoyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 55695804
4-(2,4-dimethoxyphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113114017
4-acetamido-N-quinolin-8-ylpiperidine-1-carboxamide
CID 49468374
4-(3-methylbutyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 48782141
4-[(4-methylphenyl)methyl]-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113107085
4-(3-chlorophenyl)-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide
CID 18663039
4-(3-acetylphenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113114133
methanol;4-pyrrolidin-1-yl-N-quinolin-8-ylpyridine-2-carboxamide
CID 177001630
N-(2,4-dimethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113111498
4-(3-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carboxamide
CID 113114155

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-acetylphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide (CID 113114157) is 4-(3-acetylphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-acetylphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-acetylphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide is CC(=O)c1cccc(N2CCN(C(=O)Nc3cccc4cccnc34)CC2)c1.
What is the InChIKey of 4-(3-acetylphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide?
The InChIKey is IJNCUAXAANKULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-16(27)18-6-2-8-19(15-18)25-11-13-26(14-12-25)22(28)24-20-9-3-5-17-7-4-10-23-21(17)20/h2-10,15H,11-14H2,1H3,(H,24,28).
What are the key properties of 4-(3-acetylphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide?
4-(3-acetylphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide is sourced from PubChem (CID 113114157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).