1-cyano-3-methyl-N-(2-methylquinolin-4-yl)cyclobutane-1-carboxamide

C17H17N3O — CID 80591654

IUPAC1-cyano-3-methyl-N-(2-methylquinolin-4-yl)cyclobutane-1-carboxamide
SMILESCc1cc(NC(=O)C2(C#N)CC(C)C2)c2ccccc2n1
InChIInChI=1S/C17H17N3O/c1-11-8-17(9-11,10-18)16(21)20-15-7-12(2)19-14-6-4-3-5-13(14)15/h3-7,11H,8-9H2,1-2H3,(H,19,20,21)
InChIKeyNYIVFDZFBUOGIG-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.42
Rot. Bonds2

About 1-cyano-3-methyl-N-(2-methylquinolin-4-yl)cyclobutane-1-carboxamide

1-cyano-3-methyl-N-(2-methylquinolin-4-yl)cyclobutane-1-carboxamide (PubChem CID 80591654) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-cyano-3-methyl-N-(2-methylquinolin-4-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-3-methyl-N-(2-methylquinolin-4-yl)cyclobutane-1-carboxamide
PubChem CID80591654
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-cyano-3-methyl-N-(2-methylquinolin-4-yl)cyclobutane-1-carboxamide
SMILESCc1cc(NC(=O)C2(C#N)CC(C)C2)c2ccccc2n1
InChIInChI=1S/C17H17N3O/c1-11-8-17(9-11,10-18)16(21)20-15-7-12(2)19-14-6-4-3-5-13(14)15/h3-7,11H,8-9H2,1-2H3,(H,19,20,21)
InChIKeyNYIVFDZFBUOGIG-UHFFFAOYSA-N
XLogP3.42
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-3-methyl-N-quinolin-3-ylcyclobutane-1-carboxamide
CID 80502360
1-(2-methylquinolin-4-yl)-3-phenylurea
CID 5110969
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896
(1R,4R)-4,7,7-trimethyl-N-(2-methylquinolin-4-yl)-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 98153010
(1R,4S)-4,7,7-trimethyl-N-(2-methylquinolin-4-yl)-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 27307651
N-(2-methylquinolin-4-yl)azepane-1-carboxamide
CID 115882563
2-(cyclohexylamino)-N-(2-methylquinolin-4-yl)acetamide;oxalic acid
CID 44784192
N-(2,2-dimethylcyclopropyl)-2-methylquinolin-4-amine
CID 61223865
2-iodo-N-(2-methylquinolin-4-yl)benzamide
CID 60653788
3-[(2-methylquinolin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 66032758
2-amino-N-(2-methylquinolin-4-yl)cyclopentane-1-carboxamide
CID 64817916
(E)-N-(2-methylquinolin-4-yl)-3-phenylprop-2-enamide
CID 1124742

Frequently Asked Questions

What is the IUPAC name of 1-cyano-3-methyl-N-(2-methylquinolin-4-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-3-methyl-N-(2-methylquinolin-4-yl)cyclobutane-1-carboxamide (CID 80591654) is 1-cyano-3-methyl-N-(2-methylquinolin-4-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-3-methyl-N-(2-methylquinolin-4-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-3-methyl-N-(2-methylquinolin-4-yl)cyclobutane-1-carboxamide is Cc1cc(NC(=O)C2(C#N)CC(C)C2)c2ccccc2n1.
What is the InChIKey of 1-cyano-3-methyl-N-(2-methylquinolin-4-yl)cyclobutane-1-carboxamide?
The InChIKey is NYIVFDZFBUOGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-8-17(9-11,10-18)16(21)20-15-7-12(2)19-14-6-4-3-5-13(14)15/h3-7,11H,8-9H2,1-2H3,(H,19,20,21).
What are the key properties of 1-cyano-3-methyl-N-(2-methylquinolin-4-yl)cyclobutane-1-carboxamide?
1-cyano-3-methyl-N-(2-methylquinolin-4-yl)cyclobutane-1-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-3-methyl-N-(2-methylquinolin-4-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80591654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).