N-quinolin-3-ylpropanamide

C12H12N2O — CID 19032664

IUPACN-quinolin-3-ylpropanamide
SMILESCCC(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C12H12N2O/c1-2-12(15)14-10-7-9-5-3-4-6-11(9)13-8-10/h3-8H,2H2,1H3,(H,14,15)
InChIKeyMISHSHICMVHYDE-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.58
Rot. Bonds2

About N-quinolin-3-ylpropanamide

N-quinolin-3-ylpropanamide (PubChem CID 19032664) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is N-quinolin-3-ylpropanamide.

Molecular Properties

Compound NameN-quinolin-3-ylpropanamide
PubChem CID19032664
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC NameN-quinolin-3-ylpropanamide
SMILESCCC(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C12H12N2O/c1-2-12(15)14-10-7-9-5-3-4-6-11(9)13-8-10/h3-8H,2H2,1H3,(H,14,15)
InChIKeyMISHSHICMVHYDE-UHFFFAOYSA-N
XLogP2.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-quinolin-3-ylpropanamide?
The IUPAC name of N-quinolin-3-ylpropanamide (CID 19032664) is N-quinolin-3-ylpropanamide.
What is the SMILES notation for N-quinolin-3-ylpropanamide?
The canonical SMILES for N-quinolin-3-ylpropanamide is CCC(=O)Nc1cnc2ccccc2c1.
What is the InChIKey of N-quinolin-3-ylpropanamide?
The InChIKey is MISHSHICMVHYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-2-12(15)14-10-7-9-5-3-4-6-11(9)13-8-10/h3-8H,2H2,1H3,(H,14,15).
What are the key properties of N-quinolin-3-ylpropanamide?
N-quinolin-3-ylpropanamide has a molecular weight of 200.24 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-3-ylpropanamide is sourced from PubChem (CID 19032664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).