6-methyl-3-(4-methylanilino)-2-oxo-1H-quinoline-4-carboxylic acid

C18H16N2O3 — CID 102480399

IUPAC6-methyl-3-(4-methylanilino)-2-oxo-1H-quinoline-4-carboxylic acid
SMILESCc1ccc(Nc2c(C(=O)O)c3cc(C)ccc3[nH]c2=O)cc1
InChIInChI=1S/C18H16N2O3/c1-10-3-6-12(7-4-10)19-16-15(18(22)23)13-9-11(2)5-8-14(13)20-17(16)21/h3-9,19H,1-2H3,(H,20,21)(H,22,23)
InChIKeyOZPNMIDSHVWRES-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.59
Rot. Bonds3

About 6-methyl-3-(4-methylanilino)-2-oxo-1H-quinoline-4-carboxylic acid

6-methyl-3-(4-methylanilino)-2-oxo-1H-quinoline-4-carboxylic acid (PubChem CID 102480399) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 6-methyl-3-(4-methylanilino)-2-oxo-1H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-3-(4-methylanilino)-2-oxo-1H-quinoline-4-carboxylic acid
PubChem CID102480399
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name6-methyl-3-(4-methylanilino)-2-oxo-1H-quinoline-4-carboxylic acid
SMILESCc1ccc(Nc2c(C(=O)O)c3cc(C)ccc3[nH]c2=O)cc1
InChIInChI=1S/C18H16N2O3/c1-10-3-6-12(7-4-10)19-16-15(18(22)23)13-9-11(2)5-8-14(13)20-17(16)21/h3-9,19H,1-2H3,(H,20,21)(H,22,23)
InChIKeyOZPNMIDSHVWRES-UHFFFAOYSA-N
XLogP3.59
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluoroanilino)-2-oxo-1H-quinoline-4-carboxylic acid
CID 139572181
3-ethenyl-6-methyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 13445599
7-methyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid
CID 84631846
2-(3-amino-6-methyl-2-oxo-1H-quinolin-4-yl)acetic acid
CID 115038738
5-methyl-3-(2,2,2-trifluoroacetyl)-1H-indole-2-carboxylic acid
CID 84641540
N-[4-(3,6-dimethyl-9H-carbazol-1-yl)phenyl]-2,4,6-trimethylaniline
CID 174882577
2,7-dimethyl-10H-acridin-9-one
CID 13293445
methyl 2-amino-5-methyl-1H-indole-3-carboxylate
CID 112695143
2,3-dianilino-5,6-dimethylterephthalic acid
CID 19027235
3-amino-6-methoxy-2-oxo-1H-quinoline-4-carboxylic acid
CID 115039979
3,6-dimethyl-9H-carbazole
CID 144942624
3-[(2,5-dimethyl-1H-indole-3-carbonyl)amino]propanoic acid
CID 110835922

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(4-methylanilino)-2-oxo-1H-quinoline-4-carboxylic acid?
The IUPAC name of 6-methyl-3-(4-methylanilino)-2-oxo-1H-quinoline-4-carboxylic acid (CID 102480399) is 6-methyl-3-(4-methylanilino)-2-oxo-1H-quinoline-4-carboxylic acid.
What is the SMILES notation for 6-methyl-3-(4-methylanilino)-2-oxo-1H-quinoline-4-carboxylic acid?
The canonical SMILES for 6-methyl-3-(4-methylanilino)-2-oxo-1H-quinoline-4-carboxylic acid is Cc1ccc(Nc2c(C(=O)O)c3cc(C)ccc3[nH]c2=O)cc1.
What is the InChIKey of 6-methyl-3-(4-methylanilino)-2-oxo-1H-quinoline-4-carboxylic acid?
The InChIKey is OZPNMIDSHVWRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-10-3-6-12(7-4-10)19-16-15(18(22)23)13-9-11(2)5-8-14(13)20-17(16)21/h3-9,19H,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 6-methyl-3-(4-methylanilino)-2-oxo-1H-quinoline-4-carboxylic acid?
6-methyl-3-(4-methylanilino)-2-oxo-1H-quinoline-4-carboxylic acid has a molecular weight of 308.34 g/mol, XLogP of 3.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(4-methylanilino)-2-oxo-1H-quinoline-4-carboxylic acid is sourced from PubChem (CID 102480399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).