methyl 2-(4-oxo-6-propan-2-ylquinolin-1-yl)acetate

C15H17NO3 — CID 100802151

IUPACmethyl 2-(4-oxo-6-propan-2-ylquinolin-1-yl)acetate
SMILESCOC(=O)Cn1ccc(=O)c2cc(C(C)C)ccc21
InChIInChI=1S/C15H17NO3/c1-10(2)11-4-5-13-12(8-11)14(17)6-7-16(13)9-15(18)19-3/h4-8,10H,9H2,1-3H3
InChIKeyWVWOTTJUSLHQFR-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.30
Rot. Bonds3

About methyl 2-(4-oxo-6-propan-2-ylquinolin-1-yl)acetate

methyl 2-(4-oxo-6-propan-2-ylquinolin-1-yl)acetate (PubChem CID 100802151) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 2-(4-oxo-6-propan-2-ylquinolin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-oxo-6-propan-2-ylquinolin-1-yl)acetate
PubChem CID100802151
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namemethyl 2-(4-oxo-6-propan-2-ylquinolin-1-yl)acetate
SMILESCOC(=O)Cn1ccc(=O)c2cc(C(C)C)ccc21
InChIInChI=1S/C15H17NO3/c1-10(2)11-4-5-13-12(8-11)14(17)6-7-16(13)9-15(18)19-3/h4-8,10H,9H2,1-3H3
InChIKeyWVWOTTJUSLHQFR-UHFFFAOYSA-N
XLogP2.30
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(4-oxo-6-propan-2-ylquinolin-1-yl)acetate 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

methyl 2-(7-chloro-6-methoxy-4-oxoquinolin-1-yl)acetate
CID 54773108
methyl 2-[1-(2-hydroxyethyl)-5-propan-2-ylindol-3-yl]acetate
CID 83944998
2-(6-methyl-4-oxoquinolin-1-yl)-N-propan-2-ylacetamide
CID 100741082
2-(6-bromo-4-oxoquinolin-1-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 100737711
methyl 2-(5-hydroxyindol-1-yl)acetate
CID 20770839
2-(6-fluoro-4-oxoquinolin-1-yl)-N-(2-methylpropyl)acetamide
CID 100742567
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 119526495
2-(6-fluoro-4-oxoquinolin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 100742748
methyl 2-[5-(ethylaminomethyl)indol-1-yl]acetate
CID 102915843
methyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate
CID 59562280
ethyl 2-(6,7-diethoxy-4-oxoquinolin-1-yl)acetate
CID 50877332
2-(6-bromo-4-oxoquinolin-1-yl)-N-ethylacetamide
CID 100736017

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-oxo-6-propan-2-ylquinolin-1-yl)acetate?
The IUPAC name of methyl 2-(4-oxo-6-propan-2-ylquinolin-1-yl)acetate (CID 100802151) is methyl 2-(4-oxo-6-propan-2-ylquinolin-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-oxo-6-propan-2-ylquinolin-1-yl)acetate?
The canonical SMILES for methyl 2-(4-oxo-6-propan-2-ylquinolin-1-yl)acetate is COC(=O)Cn1ccc(=O)c2cc(C(C)C)ccc21.
What is the InChIKey of methyl 2-(4-oxo-6-propan-2-ylquinolin-1-yl)acetate?
The InChIKey is WVWOTTJUSLHQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10(2)11-4-5-13-12(8-11)14(17)6-7-16(13)9-15(18)19-3/h4-8,10H,9H2,1-3H3.
What are the key properties of methyl 2-(4-oxo-6-propan-2-ylquinolin-1-yl)acetate?
methyl 2-(4-oxo-6-propan-2-ylquinolin-1-yl)acetate has a molecular weight of 259.31 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-oxo-6-propan-2-ylquinolin-1-yl)acetate is sourced from PubChem (CID 100802151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).