7-acetamido-2-(4-ethylphenyl)quinoline-4-carboxylic acid

C20H18N2O3 — CID 18073631

IUPAC7-acetamido-2-(4-ethylphenyl)quinoline-4-carboxylic acid
SMILESCCc1ccc(-c2cc(C(=O)O)c3ccc(NC(C)=O)cc3n2)cc1
InChIInChI=1S/C20H18N2O3/c1-3-13-4-6-14(7-5-13)18-11-17(20(24)25)16-9-8-15(21-12(2)23)10-19(16)22-18/h4-11H,3H2,1-2H3,(H,21,23)(H,24,25)
InChIKeyMGHHFKRIKNZUCY-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.12
Rot. Bonds4

About 7-acetamido-2-(4-ethylphenyl)quinoline-4-carboxylic acid

7-acetamido-2-(4-ethylphenyl)quinoline-4-carboxylic acid (PubChem CID 18073631) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 7-acetamido-2-(4-ethylphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-acetamido-2-(4-ethylphenyl)quinoline-4-carboxylic acid
PubChem CID18073631
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name7-acetamido-2-(4-ethylphenyl)quinoline-4-carboxylic acid
SMILESCCc1ccc(-c2cc(C(=O)O)c3ccc(NC(C)=O)cc3n2)cc1
InChIInChI=1S/C20H18N2O3/c1-3-13-4-6-14(7-5-13)18-11-17(20(24)25)16-9-8-15(21-12(2)23)10-19(16)22-18/h4-11H,3H2,1-2H3,(H,21,23)(H,24,25)
InChIKeyMGHHFKRIKNZUCY-UHFFFAOYSA-N
XLogP4.12
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-acetamido-2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylic acid
CID 18073616
2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
CID 1225955
6-acetamido-2-(4-chlorophenyl)quinoline-4-carboxylic acid
CID 18073438
7-acetamido-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid
CID 18073634
7-acetamido-2-(2-fluorophenyl)quinoline-4-carboxylic acid
CID 18073623
2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)quinoline-4-carboxamide
CID 3285016
N-[4-(acetylsulfamoyl)phenyl]-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 1358755
2-(4-ethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4303527
2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide
CID 50816051
2-[4-(4-ethylphenyl)phenyl]-4-prop-1-en-2-ylquinoline;methanol;propan-2-one
CID 145465198
6-acetamido-2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylic acid
CID 18073443
7-acetamido-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 18073617

Frequently Asked Questions

What is the IUPAC name of 7-acetamido-2-(4-ethylphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 7-acetamido-2-(4-ethylphenyl)quinoline-4-carboxylic acid (CID 18073631) is 7-acetamido-2-(4-ethylphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 7-acetamido-2-(4-ethylphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 7-acetamido-2-(4-ethylphenyl)quinoline-4-carboxylic acid is CCc1ccc(-c2cc(C(=O)O)c3ccc(NC(C)=O)cc3n2)cc1.
What is the InChIKey of 7-acetamido-2-(4-ethylphenyl)quinoline-4-carboxylic acid?
The InChIKey is MGHHFKRIKNZUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-3-13-4-6-14(7-5-13)18-11-17(20(24)25)16-9-8-15(21-12(2)23)10-19(16)22-18/h4-11H,3H2,1-2H3,(H,21,23)(H,24,25).
What are the key properties of 7-acetamido-2-(4-ethylphenyl)quinoline-4-carboxylic acid?
7-acetamido-2-(4-ethylphenyl)quinoline-4-carboxylic acid has a molecular weight of 334.38 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetamido-2-(4-ethylphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 18073631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).