N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide

C21H24N4O2 — CID 166307323

IUPACN-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
SMILESO=C(Cc1cc2ccccc2[nH]c1=O)NCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C21H24N4O2/c26-20(13-16-12-15-6-4-5-9-19(15)23-21(16)27)22-14-17-10-11-25(24-17)18-7-2-1-3-8-18/h4-6,9-12,18H,1-3,7-8,13-14H2,(H,22,26)(H,23,27)
InChIKeyVLTGVCROCFFLRD-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.09
Rot. Bonds5

About N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide

N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide (PubChem CID 166307323) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
PubChem CID166307323
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
SMILESO=C(Cc1cc2ccccc2[nH]c1=O)NCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C21H24N4O2/c26-20(13-16-12-15-6-4-5-9-19(15)23-21(16)27)22-14-17-10-11-25(24-17)18-7-2-1-3-8-18/h4-6,9-12,18H,1-3,7-8,13-14H2,(H,22,26)(H,23,27)
InChIKeyVLTGVCROCFFLRD-UHFFFAOYSA-N
XLogP3.09
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide 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

N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 120705188
N-cyclohexyl-N-cyclopropyl-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 56820333
N-(cyclodecapentaenyl)-2-(1-cycloheptylpyrazol-3-yl)acetamide
CID 177025916
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 47078205
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 155966768
N-[(R)-cyclobutyl(phenyl)methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 97081084
N-cyclohexyl-2-oxo-1H-quinoline-3-carboxamide
CID 11011060
2-oxo-N-(pyridin-2-ylmethyl)-1H-quinoline-3-carboxamide
CID 16589995
2-(4-oxo-3H-phthalazin-1-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 139017463
2-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110616680
N-[(2-oxo-1H-quinolin-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110608823
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 53174634

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide?
The IUPAC name of N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide (CID 166307323) is N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide.
What is the SMILES notation for N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide?
The canonical SMILES for N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide is O=C(Cc1cc2ccccc2[nH]c1=O)NCc1ccn(C2CCCCC2)n1.
What is the InChIKey of N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide?
The InChIKey is VLTGVCROCFFLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-20(13-16-12-15-6-4-5-9-19(15)23-21(16)27)22-14-17-10-11-25(24-17)18-7-2-1-3-8-18/h4-6,9-12,18H,1-3,7-8,13-14H2,(H,22,26)(H,23,27).
What are the key properties of N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide?
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide has a molecular weight of 364.45 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide is sourced from PubChem (CID 166307323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).