N-(2-cyanopropyl)-2-methylquinoline-4-carboxamide

C15H15N3O — CID 55101906

IUPACN-(2-cyanopropyl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCC(C)C#N)c2ccccc2n1
InChIInChI=1S/C15H15N3O/c1-10(8-16)9-17-15(19)13-7-11(2)18-14-6-4-3-5-12(13)14/h3-7,10H,9H2,1-2H3,(H,17,19)
InChIKeyBOERZDIMHNIURW-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.43
Rot. Bonds3

About N-(2-cyanopropyl)-2-methylquinoline-4-carboxamide

N-(2-cyanopropyl)-2-methylquinoline-4-carboxamide (PubChem CID 55101906) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(2-cyanopropyl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-2-methylquinoline-4-carboxamide
PubChem CID55101906
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC NameN-(2-cyanopropyl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCC(C)C#N)c2ccccc2n1
InChIInChI=1S/C15H15N3O/c1-10(8-16)9-17-15(19)13-7-11(2)18-14-6-4-3-5-12(13)14/h3-7,10H,9H2,1-2H3,(H,17,19)
InChIKeyBOERZDIMHNIURW-UHFFFAOYSA-N
XLogP2.43
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyanomethyl)-2-methylquinoline-4-carboxamide
CID 51890088
N-(1-cyanoethyl)-2-methylquinoline-4-carboxamide
CID 61119261
N-[(2R,4S)-4-hydroxy-2-methylpentyl]-2-methylquinoline-4-carboxamide
CID 95775157
methyl 2-hydroxy-3-[(2-methylquinoline-4-carbonyl)amino]propanoate
CID 103879325
methyl 2-iodo-3-[(2-methylquinoline-4-carbonyl)amino]propanoate
CID 103493219
N-(1-cyanobutyl)-2-methylquinoline-4-carboxamide
CID 60549944
N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874
2-(2-cyanopropylcarbamoyl)benzoic acid
CID 62666773
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 51162734
N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylquinoline-4-carboxamide
CID 95312612
(2S)-2-hydroxy-4-[(2-methylquinoline-4-carbonyl)amino]butanoic acid
CID 107834591
2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide
CID 4877911

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(2-cyanopropyl)-2-methylquinoline-4-carboxamide (CID 55101906) is N-(2-cyanopropyl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NCC(C)C#N)c2ccccc2n1.
What is the InChIKey of N-(2-cyanopropyl)-2-methylquinoline-4-carboxamide?
The InChIKey is BOERZDIMHNIURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10(8-16)9-17-15(19)13-7-11(2)18-14-6-4-3-5-12(13)14/h3-7,10H,9H2,1-2H3,(H,17,19).
What are the key properties of N-(2-cyanopropyl)-2-methylquinoline-4-carboxamide?
N-(2-cyanopropyl)-2-methylquinoline-4-carboxamide has a molecular weight of 253.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 55101906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).