2-oxopropyl 2-(4-methylphenyl)quinoline-4-carboxylate

C20H17NO3 — CID 2496619

IUPAC2-oxopropyl 2-(4-methylphenyl)quinoline-4-carboxylate
SMILESCC(=O)COC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12
InChIInChI=1S/C20H17NO3/c1-13-7-9-15(10-8-13)19-11-17(20(23)24-12-14(2)22)16-5-3-4-6-18(16)21-19/h3-11H,12H2,1-2H3
InChIKeyPUVVHVPWXAQHCH-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.96
Rot. Bonds4

About 2-oxopropyl 2-(4-methylphenyl)quinoline-4-carboxylate

2-oxopropyl 2-(4-methylphenyl)quinoline-4-carboxylate (PubChem CID 2496619) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-oxopropyl 2-(4-methylphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name2-oxopropyl 2-(4-methylphenyl)quinoline-4-carboxylate
PubChem CID2496619
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name2-oxopropyl 2-(4-methylphenyl)quinoline-4-carboxylate
SMILESCC(=O)COC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12
InChIInChI=1S/C20H17NO3/c1-13-7-9-15(10-8-13)19-11-17(20(23)24-12-14(2)22)16-5-3-4-6-18(16)21-19/h3-11H,12H2,1-2H3
InChIKeyPUVVHVPWXAQHCH-UHFFFAOYSA-N
XLogP3.96
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Cinchophen
CID 8593
Brequinar
CID 57030
Neocinchophen
CID 68089
Brequinar Analog
CID 1543
3-Methyl-2-phenylquinoline-4-carboxylic acid
CID 673710
6-Methyl-2-phenylquinoline-4-carboxylic acid
CID 698707
2-([1,1'-Biphenyl]-4-yl)quinoline-4-carboxylic Acid
CID 2063288
Acridine-9-carboxylic acid
CID 94721
Brequinar Sodium
CID 23663964
2-(4-Cyclohexylphenyl)quinoline-4-carboxylic acid
CID 1830299
Methyl 2-chloroquinoline-4-carboxylate
CID 5202936
2-(2,4-Dimethylphenyl)quinoline-4-carboxylic acid
CID 230602

Frequently Asked Questions

What is the IUPAC name of 2-oxopropyl 2-(4-methylphenyl)quinoline-4-carboxylate?
The IUPAC name of 2-oxopropyl 2-(4-methylphenyl)quinoline-4-carboxylate (CID 2496619) is 2-oxopropyl 2-(4-methylphenyl)quinoline-4-carboxylate.
What is the SMILES notation for 2-oxopropyl 2-(4-methylphenyl)quinoline-4-carboxylate?
The canonical SMILES for 2-oxopropyl 2-(4-methylphenyl)quinoline-4-carboxylate is CC(=O)COC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12.
What is the InChIKey of 2-oxopropyl 2-(4-methylphenyl)quinoline-4-carboxylate?
The InChIKey is PUVVHVPWXAQHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-13-7-9-15(10-8-13)19-11-17(20(23)24-12-14(2)22)16-5-3-4-6-18(16)21-19/h3-11H,12H2,1-2H3.
What are the key properties of 2-oxopropyl 2-(4-methylphenyl)quinoline-4-carboxylate?
2-oxopropyl 2-(4-methylphenyl)quinoline-4-carboxylate has a molecular weight of 319.36 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopropyl 2-(4-methylphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 2496619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).