N-(4-butyl-2-oxo-3H-quinolin-7-yl)-3-cyclopropylpropanamide

C19H24N2O2 — CID 123357744

IUPACN-(4-butyl-2-oxo-3H-quinolin-7-yl)-3-cyclopropylpropanamide
SMILESCCCCC1=c2ccc(NC(=O)CCC3CC3)cc2=NC(=O)C1
InChIInChI=1S/C19H24N2O2/c1-2-3-4-14-11-19(23)21-17-12-15(8-9-16(14)17)20-18(22)10-7-13-5-6-13/h8-9,12-13H,2-7,10-11H2,1H3,(H,20,22)
InChIKeyGMYAXIFKOBJYTR-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.71
Rot. Bonds7

About N-(4-butyl-2-oxo-3H-quinolin-7-yl)-3-cyclopropylpropanamide

N-(4-butyl-2-oxo-3H-quinolin-7-yl)-3-cyclopropylpropanamide (PubChem CID 123357744) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-(4-butyl-2-oxo-3H-quinolin-7-yl)-3-cyclopropylpropanamide.

Molecular Properties

Compound NameN-(4-butyl-2-oxo-3H-quinolin-7-yl)-3-cyclopropylpropanamide
PubChem CID123357744
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-(4-butyl-2-oxo-3H-quinolin-7-yl)-3-cyclopropylpropanamide
SMILESCCCCC1=c2ccc(NC(=O)CCC3CC3)cc2=NC(=O)C1
InChIInChI=1S/C19H24N2O2/c1-2-3-4-14-11-19(23)21-17-12-15(8-9-16(14)17)20-18(22)10-7-13-5-6-13/h8-9,12-13H,2-7,10-11H2,1H3,(H,20,22)
InChIKeyGMYAXIFKOBJYTR-UHFFFAOYSA-N
XLogP2.71
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-butyl-2-oxo-3H-quinolin-7-yl)-3-cyclopropylpropanamide?
The IUPAC name of N-(4-butyl-2-oxo-3H-quinolin-7-yl)-3-cyclopropylpropanamide (CID 123357744) is N-(4-butyl-2-oxo-3H-quinolin-7-yl)-3-cyclopropylpropanamide.
What is the SMILES notation for N-(4-butyl-2-oxo-3H-quinolin-7-yl)-3-cyclopropylpropanamide?
The canonical SMILES for N-(4-butyl-2-oxo-3H-quinolin-7-yl)-3-cyclopropylpropanamide is CCCCC1=c2ccc(NC(=O)CCC3CC3)cc2=NC(=O)C1.
What is the InChIKey of N-(4-butyl-2-oxo-3H-quinolin-7-yl)-3-cyclopropylpropanamide?
The InChIKey is GMYAXIFKOBJYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-2-3-4-14-11-19(23)21-17-12-15(8-9-16(14)17)20-18(22)10-7-13-5-6-13/h8-9,12-13H,2-7,10-11H2,1H3,(H,20,22).
What are the key properties of N-(4-butyl-2-oxo-3H-quinolin-7-yl)-3-cyclopropylpropanamide?
N-(4-butyl-2-oxo-3H-quinolin-7-yl)-3-cyclopropylpropanamide has a molecular weight of 312.41 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butyl-2-oxo-3H-quinolin-7-yl)-3-cyclopropylpropanamide is sourced from PubChem (CID 123357744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).