N-(2-cyanopropan-2-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide

C16H17N3O2 — CID 110406225

IUPACN-(2-cyanopropan-2-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
SMILESCC(C)(C#N)NC(=O)CCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C16H17N3O2/c1-16(2,10-17)19-14(20)8-7-12-9-11-5-3-4-6-13(11)18-15(12)21/h3-6,9H,7-8H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyYQLLHQWKXPBRRO-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.88
Rot. Bonds4

About N-(2-cyanopropan-2-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide

N-(2-cyanopropan-2-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 110406225) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID110406225
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-(2-cyanopropan-2-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
SMILESCC(C)(C#N)NC(=O)CCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C16H17N3O2/c1-16(2,10-17)19-14(20)8-7-12-9-11-5-3-4-6-13(11)18-15(12)21/h3-6,9H,7-8H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyYQLLHQWKXPBRRO-UHFFFAOYSA-N
XLogP1.88
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-1-(4-methylphenyl)propan-2-yl]-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110410443
N-(3-methylbutyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110330998
N-(5-methyl-1,2-oxazol-3-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110331051
3-(2-oxo-1H-quinolin-3-yl)-N-(3-phenylpropyl)propanamide
CID 110330993
N-(2-ethyl-6-methylphenyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110355986
N-tert-butyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331121
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110331047
methyl 3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
CID 110331037
3-(2-oxo-1H-quinolin-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 110331033
3-[(2-methylbut-3-yn-2-ylamino)methyl]-1H-quinolin-2-one
CID 63999144
2,2-dimethyl-3-(2-oxo-1H-quinolin-3-yl)propanoic acid
CID 84631810
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-(2-cyanopropan-2-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide (CID 110406225) is N-(2-cyanopropan-2-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide is CC(C)(C#N)NC(=O)CCc1cc2ccccc2[nH]c1=O.
What is the InChIKey of N-(2-cyanopropan-2-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is YQLLHQWKXPBRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-16(2,10-17)19-14(20)8-7-12-9-11-5-3-4-6-13(11)18-15(12)21/h3-6,9H,7-8H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-(2-cyanopropan-2-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide?
N-(2-cyanopropan-2-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 283.33 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 110406225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).