N-(1-cyanobutyl)-2-methylquinoline-4-carboxamide

C16H17N3O — CID 60549944

IUPACN-(1-cyanobutyl)-2-methylquinoline-4-carboxamide
SMILESCCCC(C#N)NC(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C16H17N3O/c1-3-6-12(10-17)19-16(20)14-9-11(2)18-15-8-5-4-7-13(14)15/h4-5,7-9,12H,3,6H2,1-2H3,(H,19,20)
InChIKeySLWXATGDUBZPGF-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.97
Rot. Bonds4

About N-(1-cyanobutyl)-2-methylquinoline-4-carboxamide

N-(1-cyanobutyl)-2-methylquinoline-4-carboxamide (PubChem CID 60549944) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(1-cyanobutyl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyanobutyl)-2-methylquinoline-4-carboxamide
PubChem CID60549944
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-(1-cyanobutyl)-2-methylquinoline-4-carboxamide
SMILESCCCC(C#N)NC(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C16H17N3O/c1-3-6-12(10-17)19-16(20)14-9-11(2)18-15-8-5-4-7-13(14)15/h4-5,7-9,12H,3,6H2,1-2H3,(H,19,20)
InChIKeySLWXATGDUBZPGF-UHFFFAOYSA-N
XLogP2.97
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanoethyl)-2-methylquinoline-4-carboxamide
CID 61119261
2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide
CID 4877911
N-(cyanomethyl)-2-methylquinoline-4-carboxamide
CID 51890088
N-(2-cyanopropyl)-2-methylquinoline-4-carboxamide
CID 55101906
N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide
CID 62094391
N-[(1S)-1-cyanopropyl]-2-cyclopropylquinoline-4-carboxamide
CID 95310623
2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide
CID 7032720
N-(1-cyanobutyl)-3-hydroxy-2-methylbenzamide
CID 82829779
N-(1-cyanobutyl)-4-hydroxy-2-methylbenzamide
CID 103865389
N-(2-cyanopropan-2-yl)-2-methylquinoline-4-carboxamide
CID 54904478
2-amino-N-hexan-3-ylquinoline-4-carboxamide
CID 62160815
N-hexan-3-yl-2-(methylamino)quinoline-4-carboxamide
CID 62181643

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutyl)-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(1-cyanobutyl)-2-methylquinoline-4-carboxamide (CID 60549944) is N-(1-cyanobutyl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(1-cyanobutyl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(1-cyanobutyl)-2-methylquinoline-4-carboxamide is CCCC(C#N)NC(=O)c1cc(C)nc2ccccc12.
What is the InChIKey of N-(1-cyanobutyl)-2-methylquinoline-4-carboxamide?
The InChIKey is SLWXATGDUBZPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-3-6-12(10-17)19-16(20)14-9-11(2)18-15-8-5-4-7-13(14)15/h4-5,7-9,12H,3,6H2,1-2H3,(H,19,20).
What are the key properties of N-(1-cyanobutyl)-2-methylquinoline-4-carboxamide?
N-(1-cyanobutyl)-2-methylquinoline-4-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutyl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 60549944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).