7-acetamido-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid

C20H18N2O3 — CID 18073634

IUPAC7-acetamido-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid
SMILESCC(=O)Nc1ccc2c(C(=O)O)cc(-c3ccc(C)cc3C)nc2c1
InChIInChI=1S/C20H18N2O3/c1-11-4-6-15(12(2)8-11)19-10-17(20(24)25)16-7-5-14(21-13(3)23)9-18(16)22-19/h4-10H,1-3H3,(H,21,23)(H,24,25)
InChIKeyUZZCEFXFVNNAJB-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.18
Rot. Bonds3

About 7-acetamido-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid

7-acetamido-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid (PubChem CID 18073634) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 7-acetamido-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-acetamido-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid
PubChem CID18073634
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name7-acetamido-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid
SMILESCC(=O)Nc1ccc2c(C(=O)O)cc(-c3ccc(C)cc3C)nc2c1
InChIInChI=1S/C20H18N2O3/c1-11-4-6-15(12(2)8-11)19-10-17(20(24)25)16-7-5-14(21-13(3)23)9-18(16)22-19/h4-10H,1-3H3,(H,21,23)(H,24,25)
InChIKeyUZZCEFXFVNNAJB-UHFFFAOYSA-N
XLogP4.18
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-acetamido-2-(2-fluorophenyl)quinoline-4-carboxylic acid
CID 18073623
7-acetamido-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 18073617
N-(5-acetamido-2-methoxyphenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 26243054
6-tert-butyl-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid
CID 3921537
7-acetamido-2-(4-ethylphenyl)quinoline-4-carboxylic acid
CID 18073631
1-(3,4-dichlorophenyl)-3-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]urea
CID 994737
2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4178944
7-acetamido-2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylic acid
CID 18073616
N-[3-(dimethylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 32849375
7-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid
CID 63462482
2-(2,4-dimethylphenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 3129381
2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 15376151

Frequently Asked Questions

What is the IUPAC name of 7-acetamido-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 7-acetamido-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid (CID 18073634) is 7-acetamido-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 7-acetamido-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 7-acetamido-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid is CC(=O)Nc1ccc2c(C(=O)O)cc(-c3ccc(C)cc3C)nc2c1.
What is the InChIKey of 7-acetamido-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid?
The InChIKey is UZZCEFXFVNNAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-11-4-6-15(12(2)8-11)19-10-17(20(24)25)16-7-5-14(21-13(3)23)9-18(16)22-19/h4-10H,1-3H3,(H,21,23)(H,24,25).
What are the key properties of 7-acetamido-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid?
7-acetamido-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid has a molecular weight of 334.38 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetamido-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 18073634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).