1-[2-(3-cyanoanilino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide

C22H24N4O2 — CID 16598308

IUPAC1-[2-(3-cyanoanilino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESCC(C)NC(=O)c1cccc2c1CCCN2CC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C22H24N4O2/c1-15(2)24-22(28)19-8-4-10-20-18(19)9-5-11-26(20)14-21(27)25-17-7-3-6-16(12-17)13-23/h3-4,6-8,10,12,15H,5,9,11,14H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyYSSIFCAWDQUUFC-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.09
Rot. Bonds5

About 1-[2-(3-cyanoanilino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide

1-[2-(3-cyanoanilino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide (PubChem CID 16598308) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[2-(3-cyanoanilino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide.

Molecular Properties

Compound Name1-[2-(3-cyanoanilino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
PubChem CID16598308
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-[2-(3-cyanoanilino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESCC(C)NC(=O)c1cccc2c1CCCN2CC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C22H24N4O2/c1-15(2)24-22(28)19-8-4-10-20-18(19)9-5-11-26(20)14-21(27)25-17-7-3-6-16(12-17)13-23/h3-4,6-8,10,12,15H,5,9,11,14H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyYSSIFCAWDQUUFC-UHFFFAOYSA-N
XLogP3.09
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3-cyanoanilino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-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

1-[2-(2-cyanoanilino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16598292
1-[2-(4-chloroanilino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16598332
1-[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16598522
1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16598451
1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16598424
1-[2-(2-bromo-4-nitroanilino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16961903
1-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16598487
1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 17454682
N-(3-cyanophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
CID 8591940
N-butan-2-yl-2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylbenzamide
CID 78773836
N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54817030
N-[(2S)-butan-2-yl]-5-[(3-cyanophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1065125

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-cyanoanilino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide?
The IUPAC name of 1-[2-(3-cyanoanilino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide (CID 16598308) is 1-[2-(3-cyanoanilino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide.
What is the SMILES notation for 1-[2-(3-cyanoanilino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide?
The canonical SMILES for 1-[2-(3-cyanoanilino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide is CC(C)NC(=O)c1cccc2c1CCCN2CC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 1-[2-(3-cyanoanilino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide?
The InChIKey is YSSIFCAWDQUUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15(2)24-22(28)19-8-4-10-20-18(19)9-5-11-26(20)14-21(27)25-17-7-3-6-16(12-17)13-23/h3-4,6-8,10,12,15H,5,9,11,14H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 1-[2-(3-cyanoanilino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide?
1-[2-(3-cyanoanilino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide has a molecular weight of 376.46 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 1-[2-(3-cyanoanilino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide is sourced from PubChem (CID 16598308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).