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

C14H13N3O — CID 61119261

IUPACN-(1-cyanoethyl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC(C)C#N)c2ccccc2n1
InChIInChI=1S/C14H13N3O/c1-9-7-12(14(18)17-10(2)8-15)11-5-3-4-6-13(11)16-9/h3-7,10H,1-2H3,(H,17,18)
InChIKeyRLKZHXXXXIZPNO-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.19
Rot. Bonds2

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

N-(1-cyanoethyl)-2-methylquinoline-4-carboxamide (PubChem CID 61119261) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(1-cyanoethyl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-2-methylquinoline-4-carboxamide
PubChem CID61119261
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC NameN-(1-cyanoethyl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC(C)C#N)c2ccccc2n1
InChIInChI=1S/C14H13N3O/c1-9-7-12(14(18)17-10(2)8-15)11-5-3-4-6-13(11)16-9/h3-7,10H,1-2H3,(H,17,18)
InChIKeyRLKZHXXXXIZPNO-UHFFFAOYSA-N
XLogP2.19
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanobutyl)-2-methylquinoline-4-carboxamide
CID 60549944
N-(2-cyanopropyl)-2-methylquinoline-4-carboxamide
CID 55101906
2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide
CID 4877911
N-(cyanomethyl)-2-methylquinoline-4-carboxamide
CID 51890088
N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide
CID 62094391
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methylquinoline-4-carboxamide
CID 61121065
2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide
CID 7032720
N-(2-cyanopropan-2-yl)-2-methylquinoline-4-carboxamide
CID 54904478
N-[1-(2-methoxyphenyl)ethyl]-2-methylquinoline-4-carboxamide
CID 4883107
N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-methylquinoline-4-carboxamide
CID 71913323
N-[(1S,2S)-1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-methylquinoline-4-carboxamide
CID 97068002
2-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-4-carboxamide
CID 95279293

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(1-cyanoethyl)-2-methylquinoline-4-carboxamide (CID 61119261) is N-(1-cyanoethyl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(1-cyanoethyl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(1-cyanoethyl)-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NC(C)C#N)c2ccccc2n1.
What is the InChIKey of N-(1-cyanoethyl)-2-methylquinoline-4-carboxamide?
The InChIKey is RLKZHXXXXIZPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9-7-12(14(18)17-10(2)8-15)11-5-3-4-6-13(11)16-9/h3-7,10H,1-2H3,(H,17,18).
What are the key properties of N-(1-cyanoethyl)-2-methylquinoline-4-carboxamide?
N-(1-cyanoethyl)-2-methylquinoline-4-carboxamide has a molecular weight of 239.28 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 61119261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).