N-(2-cyanopropyl)-N-methylquinoline-8-carboxamide

C15H15N3O — CID 47414728

IUPACN-(2-cyanopropyl)-N-methylquinoline-8-carboxamide
SMILESCC(C#N)CN(C)C(=O)c1cccc2cccnc12
InChIInChI=1S/C15H15N3O/c1-11(9-16)10-18(2)15(19)13-7-3-5-12-6-4-8-17-14(12)13/h3-8,11H,10H2,1-2H3
InChIKeyPYOWSXIRBYKVGP-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.47
Rot. Bonds3

About N-(2-cyanopropyl)-N-methylquinoline-8-carboxamide

N-(2-cyanopropyl)-N-methylquinoline-8-carboxamide (PubChem CID 47414728) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-methylquinoline-8-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-methylquinoline-8-carboxamide
PubChem CID47414728
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC NameN-(2-cyanopropyl)-N-methylquinoline-8-carboxamide
SMILESCC(C#N)CN(C)C(=O)c1cccc2cccnc12
InChIInChI=1S/C15H15N3O/c1-11(9-16)10-18(2)15(19)13-7-3-5-12-6-4-8-17-14(12)13/h3-8,11H,10H2,1-2H3
InChIKeyPYOWSXIRBYKVGP-UHFFFAOYSA-N
XLogP2.47
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-3-[methyl(quinoline-8-carbonyl)amino]propanoate
CID 47981172
N-(2-cyanopropyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829304
N-(3-hydroxybutyl)-N-methylquinoline-8-carboxamide
CID 115673293
N-(2-bromoethyl)-N-methylquinoline-8-carboxamide
CID 80659623
2-bromo-N-(2-cyanopropyl)-N-methylbenzamide
CID 55021092
6-amino-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide
CID 62238981
N-methyl-N-(pyridin-3-ylmethyl)quinoline-8-carboxamide
CID 39948382
N-[1-(2-chlorophenyl)ethyl]-N-methylquinoline-8-carboxamide
CID 86882760
N-(2-cyanopropyl)-N,2,6-trimethylbenzamide
CID 113258335
2-methyl-2-[methyl(quinoline-8-carbonyl)amino]propanoic acid
CID 62819546
N-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-8-carboxamide
CID 76951123
N-methyl-N-[(4-methylsulfanylphenyl)methyl]quinoline-8-carboxamide
CID 9205470

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-methylquinoline-8-carboxamide?
The IUPAC name of N-(2-cyanopropyl)-N-methylquinoline-8-carboxamide (CID 47414728) is N-(2-cyanopropyl)-N-methylquinoline-8-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-methylquinoline-8-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)-N-methylquinoline-8-carboxamide is CC(C#N)CN(C)C(=O)c1cccc2cccnc12.
What is the InChIKey of N-(2-cyanopropyl)-N-methylquinoline-8-carboxamide?
The InChIKey is PYOWSXIRBYKVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-11(9-16)10-18(2)15(19)13-7-3-5-12-6-4-8-17-14(12)13/h3-8,11H,10H2,1-2H3.
What are the key properties of N-(2-cyanopropyl)-N-methylquinoline-8-carboxamide?
N-(2-cyanopropyl)-N-methylquinoline-8-carboxamide has a molecular weight of 253.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-methylquinoline-8-carboxamide is sourced from PubChem (CID 47414728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).