3-[(3-cyanoquinolin-2-yl)amino]-2,2-dimethylpropanamide

C15H16N4O — CID 103736415

IUPAC3-[(3-cyanoquinolin-2-yl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNc1nc2ccccc2cc1C#N)C(N)=O
InChIInChI=1S/C15H16N4O/c1-15(2,14(17)20)9-18-13-11(8-16)7-10-5-3-4-6-12(10)19-13/h3-7H,9H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyKWKCKVXIEOWISY-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.03
Rot. Bonds4

About 3-[(3-cyanoquinolin-2-yl)amino]-2,2-dimethylpropanamide

3-[(3-cyanoquinolin-2-yl)amino]-2,2-dimethylpropanamide (PubChem CID 103736415) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[(3-cyanoquinolin-2-yl)amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(3-cyanoquinolin-2-yl)amino]-2,2-dimethylpropanamide
PubChem CID103736415
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-[(3-cyanoquinolin-2-yl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNc1nc2ccccc2cc1C#N)C(N)=O
InChIInChI=1S/C15H16N4O/c1-15(2,14(17)20)9-18-13-11(8-16)7-10-5-3-4-6-12(10)19-13/h3-7H,9H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyKWKCKVXIEOWISY-UHFFFAOYSA-N
XLogP2.03
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[(3-cyanoquinolin-2-yl)amino]acetamide
CID 79834245
2-(hydroxyamino)quinoline-3-carbonitrile
CID 130500627
2,2-dimethyl-3-(quinolin-2-ylamino)propanamide
CID 113224831
3-[(2-cyanoquinolin-4-yl)amino]-2,2-dimethylpropanamide
CID 133318102
2-[(4-methylphenyl)methylamino]quinoline-3-carbonitrile
CID 62090812
2-[(2-hydroxy-4-methylpentyl)amino]quinoline-3-carbonitrile
CID 103736444
2-[(2-methylcyclopropyl)methylamino]quinoline-3-carbonitrile
CID 113463859
2-[(2-hydroxycyclohexyl)methylamino]quinoline-3-carbonitrile
CID 64911454
2-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile
CID 62090102
3-(3-amino-4-cyanoanilino)-2,2-dimethylpropanamide
CID 106275070
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]quinoline-3-carbonitrile
CID 79250182
2-(1,2-oxazol-5-ylmethylamino)quinoline-3-carbonitrile
CID 106417712

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyanoquinolin-2-yl)amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(3-cyanoquinolin-2-yl)amino]-2,2-dimethylpropanamide (CID 103736415) is 3-[(3-cyanoquinolin-2-yl)amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(3-cyanoquinolin-2-yl)amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(3-cyanoquinolin-2-yl)amino]-2,2-dimethylpropanamide is CC(C)(CNc1nc2ccccc2cc1C#N)C(N)=O.
What is the InChIKey of 3-[(3-cyanoquinolin-2-yl)amino]-2,2-dimethylpropanamide?
The InChIKey is KWKCKVXIEOWISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-15(2,14(17)20)9-18-13-11(8-16)7-10-5-3-4-6-12(10)19-13/h3-7H,9H2,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of 3-[(3-cyanoquinolin-2-yl)amino]-2,2-dimethylpropanamide?
3-[(3-cyanoquinolin-2-yl)amino]-2,2-dimethylpropanamide has a molecular weight of 268.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyanoquinolin-2-yl)amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 103736415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).