3-(4-oxoquinolin-1-yl)propanamide

C12H12N2O2 — CID 53264488

IUPAC3-(4-oxoquinolin-1-yl)propanamide
SMILESNC(=O)CCn1ccc(=O)c2ccccc21
InChIInChI=1S/C12H12N2O2/c13-12(16)6-8-14-7-5-11(15)9-3-1-2-4-10(9)14/h1-5,7H,6,8H2,(H2,13,16)
InChIKeyXBWZCLDORNKDAJ-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.88
Rot. Bonds3

About 3-(4-oxoquinolin-1-yl)propanamide

3-(4-oxoquinolin-1-yl)propanamide (PubChem CID 53264488) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-(4-oxoquinolin-1-yl)propanamide.

Molecular Properties

Compound Name3-(4-oxoquinolin-1-yl)propanamide
PubChem CID53264488
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name3-(4-oxoquinolin-1-yl)propanamide
SMILESNC(=O)CCn1ccc(=O)c2ccccc21
InChIInChI=1S/C12H12N2O2/c13-12(16)6-8-14-7-5-11(15)9-3-1-2-4-10(9)14/h1-5,7H,6,8H2,(H2,13,16)
InChIKeyXBWZCLDORNKDAJ-UHFFFAOYSA-N
XLogP0.88
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-oxoquinolin-1-yl)propanoic acid
CID 53264528
5-(4-oxoquinolin-1-yl)pentanehydrazide
CID 63582620
3-(7-ethoxy-4-oxoquinolin-1-yl)propanamide
CID 66487379
3-[3-(2-aminoethyl)indol-1-yl]propanamide
CID 55164863
3-(4-oxocinnolin-1-yl)propanamide
CID 47123782
1-[2-(2-aminoethoxy)ethyl]quinolin-4-one
CID 103482325
1-(3,3-dimethyl-2-oxobutyl)quinolin-4-one
CID 62024225
3-(8-ethoxy-4-oxoquinolin-1-yl)propanamide
CID 66487335
1-(2-piperidin-1-ylethyl)quinolin-4-one
CID 141163131
3-[3-(methylaminomethyl)indol-1-yl]propanamide
CID 66407765
3-(4-propoxyindol-1-yl)propanamide
CID 83173818
ethyl 3-oxo-4-(4-oxoquinolin-1-yl)butanoate
CID 63899087

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxoquinolin-1-yl)propanamide?
The IUPAC name of 3-(4-oxoquinolin-1-yl)propanamide (CID 53264488) is 3-(4-oxoquinolin-1-yl)propanamide.
What is the SMILES notation for 3-(4-oxoquinolin-1-yl)propanamide?
The canonical SMILES for 3-(4-oxoquinolin-1-yl)propanamide is NC(=O)CCn1ccc(=O)c2ccccc21.
What is the InChIKey of 3-(4-oxoquinolin-1-yl)propanamide?
The InChIKey is XBWZCLDORNKDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c13-12(16)6-8-14-7-5-11(15)9-3-1-2-4-10(9)14/h1-5,7H,6,8H2,(H2,13,16).
What are the key properties of 3-(4-oxoquinolin-1-yl)propanamide?
3-(4-oxoquinolin-1-yl)propanamide has a molecular weight of 216.24 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxoquinolin-1-yl)propanamide is sourced from PubChem (CID 53264488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).