1-acetyl-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide

C22H21ClN4O2 — CID 166218488

IUPAC1-acetyl-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCC(=O)N1CCCc2cc(C(=O)NCc3cnn(-c4ccc(Cl)cc4)c3)ccc21
InChIInChI=1S/C22H21ClN4O2/c1-15(28)26-10-2-3-17-11-18(4-9-21(17)26)22(29)24-12-16-13-25-27(14-16)20-7-5-19(23)6-8-20/h4-9,11,13-14H,2-3,10,12H2,1H3,(H,24,29)
InChIKeyUQMVFTWUMQXGLO-UHFFFAOYSA-N
MW408.89 g/mol
LogP3.75
Rot. Bonds4

About 1-acetyl-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide

1-acetyl-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 166218488) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 1-acetyl-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID166218488
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Name1-acetyl-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCC(=O)N1CCCc2cc(C(=O)NCc3cnn(-c4ccc(Cl)cc4)c3)ccc21
InChIInChI=1S/C22H21ClN4O2/c1-15(28)26-10-2-3-17-11-18(4-9-21(17)26)22(29)24-12-16-13-25-27(14-16)20-7-5-19(23)6-8-20/h4-9,11,13-14H,2-3,10,12H2,1H3,(H,24,29)
InChIKeyUQMVFTWUMQXGLO-UHFFFAOYSA-N
XLogP3.75
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-acetyl-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(4-chlorophenyl)methyl]benzamide
CID 53043801
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 86968649
4-chloro-N-[[1-(3-methylbenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide
CID 142580537
1-acetyl-N-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide
CID 55903162
4-(2-oxopyrrolidin-1-yl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 17442772
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-6-ethoxypyridine-3-carboxamide
CID 86968541
2-acetyl-N-[(4-chlorophenyl)methyl]-10-(3-methylbutyl)-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-14-carboxamide
CID 133074142
4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen
CID 153360984
1-(4-chlorophenyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 78888339
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide
CID 86970075
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 86968285
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-benzofuran-2-carboxamide
CID 86968691

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of 1-acetyl-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide (CID 166218488) is 1-acetyl-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for 1-acetyl-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for 1-acetyl-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide is CC(=O)N1CCCc2cc(C(=O)NCc3cnn(-c4ccc(Cl)cc4)c3)ccc21.
What is the InChIKey of 1-acetyl-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is UQMVFTWUMQXGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c1-15(28)26-10-2-3-17-11-18(4-9-21(17)26)22(29)24-12-16-13-25-27(14-16)20-7-5-19(23)6-8-20/h4-9,11,13-14H,2-3,10,12H2,1H3,(H,24,29).
What are the key properties of 1-acetyl-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
1-acetyl-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 408.89 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 166218488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).