N-(2-cyano-3-methylbutan-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)propanamide

C18H25N3O — CID 46804829

IUPACN-(2-cyano-3-methylbutan-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)propanamide
SMILESCC(C(=O)NC(C)(C#N)C(C)C)N1CCCc2ccccc21
InChIInChI=1S/C18H25N3O/c1-13(2)18(4,12-19)20-17(22)14(3)21-11-7-9-15-8-5-6-10-16(15)21/h5-6,8,10,13-14H,7,9,11H2,1-4H3,(H,20,22)
InChIKeyJYDCYLHRJDQGQC-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.88
Rot. Bonds4

About N-(2-cyano-3-methylbutan-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)propanamide

N-(2-cyano-3-methylbutan-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)propanamide (PubChem CID 46804829) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-(2-cyano-3-methylbutan-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylbutan-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)propanamide
PubChem CID46804829
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-(2-cyano-3-methylbutan-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)propanamide
SMILESCC(C(=O)NC(C)(C#N)C(C)C)N1CCCc2ccccc21
InChIInChI=1S/C18H25N3O/c1-13(2)18(4,12-19)20-17(22)14(3)21-11-7-9-15-8-5-6-10-16(15)21/h5-6,8,10,13-14H,7,9,11H2,1-4H3,(H,20,22)
InChIKeyJYDCYLHRJDQGQC-UHFFFAOYSA-N
XLogP2.88
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
CID 151944573
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(propan-2-ylcarbamoyl)propanamide
CID 51242293
(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 42223767
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)propanamide
CID 46800848
2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl chloride
CID 12730427
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 24506586
(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(ethylcarbamoyl)propanamide
CID 26551728
N-(cyclopropylcarbamoyl)-2-(3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 51281393
(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methoxyphenyl)propanamide
CID 9249756
(2R)-N-(3-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 9249760
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 46646494
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 47144998

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)propanamide?
The IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)propanamide (CID 46804829) is N-(2-cyano-3-methylbutan-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)propanamide.
What is the SMILES notation for N-(2-cyano-3-methylbutan-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)propanamide?
The canonical SMILES for N-(2-cyano-3-methylbutan-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)propanamide is CC(C(=O)NC(C)(C#N)C(C)C)N1CCCc2ccccc21.
What is the InChIKey of N-(2-cyano-3-methylbutan-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)propanamide?
The InChIKey is JYDCYLHRJDQGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-13(2)18(4,12-19)20-17(22)14(3)21-11-7-9-15-8-5-6-10-16(15)21/h5-6,8,10,13-14H,7,9,11H2,1-4H3,(H,20,22).
What are the key properties of N-(2-cyano-3-methylbutan-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)propanamide?
N-(2-cyano-3-methylbutan-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)propanamide has a molecular weight of 299.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylbutan-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)propanamide is sourced from PubChem (CID 46804829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).