6-(dimethylamino)-1-methyl-4-oxoquinoline-3-carboxylic acid

C13H14N2O3 — CID 82244225

IUPAC6-(dimethylamino)-1-methyl-4-oxoquinoline-3-carboxylic acid
SMILESCN(C)c1ccc2c(c1)c(=O)c(C(=O)O)cn2C
InChIInChI=1S/C13H14N2O3/c1-14(2)8-4-5-11-9(6-8)12(16)10(13(17)18)7-15(11)3/h4-7H,1-3H3,(H,17,18)
InChIKeyPVBMQKWRBMGQLI-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.30
Rot. Bonds2

About 6-(dimethylamino)-1-methyl-4-oxoquinoline-3-carboxylic acid

6-(dimethylamino)-1-methyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 82244225) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-(dimethylamino)-1-methyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-(dimethylamino)-1-methyl-4-oxoquinoline-3-carboxylic acid
PubChem CID82244225
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name6-(dimethylamino)-1-methyl-4-oxoquinoline-3-carboxylic acid
SMILESCN(C)c1ccc2c(c1)c(=O)c(C(=O)O)cn2C
InChIInChI=1S/C13H14N2O3/c1-14(2)8-4-5-11-9(6-8)12(16)10(13(17)18)7-15(11)3/h4-7H,1-3H3,(H,17,18)
InChIKeyPVBMQKWRBMGQLI-UHFFFAOYSA-N
XLogP1.30
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-oxo-6-(trifluoromethoxy)quinoline-3-carboxylic acid
CID 82250058
1-methyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylic acid
CID 82249897
6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 10776368
6-bromo-7-hydroxy-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 141420333
acetic acid;N,N,1-trimethyl-3-[2-(2-methylphenyl)ethanimidoyl]indol-5-amine
CID 144937830
4-methyl-1-oxobenzo[f]quinoline-2-carboxylic acid
CID 154144865
6-[5-(2-hydroxyethoxy)pentyl]-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 143454772
5-tert-butyl-1-methylindole-3-carboxylic acid
CID 82278768
6-chloro-1-methyl-4-oxo-7-(trifluoromethyl)quinoline-3-carboxylic acid
CID 66487885
5-ethyl-1-methylindole-3-carboxylic acid
CID 82278766
[1-[5-(dimethylamino)-1-methylindol-3-yl]-2-(2-methylphenyl)ethylidene]azanium
CID 163503504
2-(6-methoxy-1-methyl-4-oxoquinolin-3-yl)prop-2-enoic acid
CID 70510387

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-1-methyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 6-(dimethylamino)-1-methyl-4-oxoquinoline-3-carboxylic acid (CID 82244225) is 6-(dimethylamino)-1-methyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 6-(dimethylamino)-1-methyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 6-(dimethylamino)-1-methyl-4-oxoquinoline-3-carboxylic acid is CN(C)c1ccc2c(c1)c(=O)c(C(=O)O)cn2C.
What is the InChIKey of 6-(dimethylamino)-1-methyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is PVBMQKWRBMGQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-14(2)8-4-5-11-9(6-8)12(16)10(13(17)18)7-15(11)3/h4-7H,1-3H3,(H,17,18).
What are the key properties of 6-(dimethylamino)-1-methyl-4-oxoquinoline-3-carboxylic acid?
6-(dimethylamino)-1-methyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-1-methyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 82244225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).