propyl 4-oxo-4-quinolin-6-ylbutanoate

C16H17NO3 — CID 63968471

IUPACpropyl 4-oxo-4-quinolin-6-ylbutanoate
SMILESCCCOC(=O)CCC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C16H17NO3/c1-2-10-20-16(19)8-7-15(18)13-5-6-14-12(11-13)4-3-9-17-14/h3-6,9,11H,2,7-8,10H2,1H3
InChIKeyQURQJEAWLXRTBW-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.15
Rot. Bonds6

About propyl 4-oxo-4-quinolin-6-ylbutanoate

propyl 4-oxo-4-quinolin-6-ylbutanoate (PubChem CID 63968471) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is propyl 4-oxo-4-quinolin-6-ylbutanoate.

Molecular Properties

Compound Namepropyl 4-oxo-4-quinolin-6-ylbutanoate
PubChem CID63968471
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Namepropyl 4-oxo-4-quinolin-6-ylbutanoate
SMILESCCCOC(=O)CCC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C16H17NO3/c1-2-10-20-16(19)8-7-15(18)13-5-6-14-12(11-13)4-3-9-17-14/h3-6,9,11H,2,7-8,10H2,1H3
InChIKeyQURQJEAWLXRTBW-UHFFFAOYSA-N
XLogP3.15
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze propyl 4-oxo-4-quinolin-6-ylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-1-quinolin-6-ylpentan-1-one
CID 116572003
propyl 4-(3-cyclopropylphenyl)-4-oxobutanoate
CID 79979795
2-(methylamino)-1-quinolin-6-ylethanone
CID 84669481
2-(4-methylphenyl)-1-quinolin-6-ylethanone
CID 63096314
methyl 2-methyl-4-oxo-4-quinolin-6-ylbutanoate
CID 63968055
propyl 4-[3-(difluoromethyl)phenyl]-4-oxobutanoate
CID 113329070
2-tert-butylsulfanyl-1-quinolin-6-ylethanone
CID 81219969
propyl 4-(3-cyano-4-fluorophenyl)-4-oxobutanoate
CID 107936549
ethyl 7-oxo-6-(quinoline-6-carbonyl)octanoate
CID 57444495
ethyl butanoate;quinoline
CID 174829531
ethane;quinoline-6-carboxylic acid
CID 91364452
2-(propan-2-ylamino)-1-quinolin-6-ylethanone
CID 116554909

Frequently Asked Questions

What is the IUPAC name of propyl 4-oxo-4-quinolin-6-ylbutanoate?
The IUPAC name of propyl 4-oxo-4-quinolin-6-ylbutanoate (CID 63968471) is propyl 4-oxo-4-quinolin-6-ylbutanoate.
What is the SMILES notation for propyl 4-oxo-4-quinolin-6-ylbutanoate?
The canonical SMILES for propyl 4-oxo-4-quinolin-6-ylbutanoate is CCCOC(=O)CCC(=O)c1ccc2ncccc2c1.
What is the InChIKey of propyl 4-oxo-4-quinolin-6-ylbutanoate?
The InChIKey is QURQJEAWLXRTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-2-10-20-16(19)8-7-15(18)13-5-6-14-12(11-13)4-3-9-17-14/h3-6,9,11H,2,7-8,10H2,1H3.
What are the key properties of propyl 4-oxo-4-quinolin-6-ylbutanoate?
propyl 4-oxo-4-quinolin-6-ylbutanoate has a molecular weight of 271.32 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-oxo-4-quinolin-6-ylbutanoate is sourced from PubChem (CID 63968471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).