7,7-dimethyl-2,5-dioxo-1-pyridin-3-yl-6,8-dihydroquinoline-3-carboxylic acid

C17H16N2O4 — CID 130447834

IUPAC7,7-dimethyl-2,5-dioxo-1-pyridin-3-yl-6,8-dihydroquinoline-3-carboxylic acid
SMILESCC1(C)CC(=O)c2cc(C(=O)O)c(=O)n(-c3cccnc3)c2C1
InChIInChI=1S/C17H16N2O4/c1-17(2)7-13-11(14(20)8-17)6-12(16(22)23)15(21)19(13)10-4-3-5-18-9-10/h3-6,9H,7-8H2,1-2H3,(H,22,23)
InChIKeyNCKOVUOUYBMPIT-UHFFFAOYSA-N
MW312.32 g/mol
LogP2.09
Rot. Bonds2

About 7,7-dimethyl-2,5-dioxo-1-pyridin-3-yl-6,8-dihydroquinoline-3-carboxylic acid

7,7-dimethyl-2,5-dioxo-1-pyridin-3-yl-6,8-dihydroquinoline-3-carboxylic acid (PubChem CID 130447834) has the molecular formula C17H16N2O4 and a molecular weight of 312.32 g/mol. Its IUPAC name is 7,7-dimethyl-2,5-dioxo-1-pyridin-3-yl-6,8-dihydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7,7-dimethyl-2,5-dioxo-1-pyridin-3-yl-6,8-dihydroquinoline-3-carboxylic acid
PubChem CID130447834
Molecular FormulaC17H16N2O4
Molecular Weight312.32 g/mol
Exact Mass312.11
IUPAC Name7,7-dimethyl-2,5-dioxo-1-pyridin-3-yl-6,8-dihydroquinoline-3-carboxylic acid
SMILESCC1(C)CC(=O)c2cc(C(=O)O)c(=O)n(-c3cccnc3)c2C1
InChIInChI=1S/C17H16N2O4/c1-17(2)7-13-11(14(20)8-17)6-12(16(22)23)15(21)19(13)10-4-3-5-18-9-10/h3-6,9H,7-8H2,1-2H3,(H,22,23)
InChIKeyNCKOVUOUYBMPIT-UHFFFAOYSA-N
XLogP2.09
TPSA89.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7,7-dimethyl-2,5-dioxo-1-pyridin-3-yl-6,8-dihydroquinoline-3-carboxylic acid with MolForge

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Related Compounds

7,7-dimethyl-2,5-dioxo-1-phenyl-N,N-di(propan-2-yl)-6,8-dihydroquinoline-3-carboxamide
CID 23884754
N-(2-methoxyethyl)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide
CID 3152511
N-(2,5-dimethoxyphenyl)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide
CID 1090171
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide
CID 4873639
2-oxo-1-pyridin-3-ylpyridine-3-carboxylic acid
CID 21081587
6,6-dimethyl-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydroindol-4-one
CID 50741940
N-(3-imidazol-1-ylpropyl)-7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide
CID 2933323
5-acetyl-3-pyridin-3-yl-1H-pyrimidine-2,4-dione
CID 80643260
7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(4-sulfamoylphenyl)-6,8-dihydroquinoline-3-carboxamide
CID 2945255
acetic acid;1-(4-chlorophenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one
CID 163342661
4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzene-1,2-dicarboxamide
CID 66953002
N-(4-butoxyphenyl)-1-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide
CID 2200272

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2,5-dioxo-1-pyridin-3-yl-6,8-dihydroquinoline-3-carboxylic acid?
The IUPAC name of 7,7-dimethyl-2,5-dioxo-1-pyridin-3-yl-6,8-dihydroquinoline-3-carboxylic acid (CID 130447834) is 7,7-dimethyl-2,5-dioxo-1-pyridin-3-yl-6,8-dihydroquinoline-3-carboxylic acid.
What is the SMILES notation for 7,7-dimethyl-2,5-dioxo-1-pyridin-3-yl-6,8-dihydroquinoline-3-carboxylic acid?
The canonical SMILES for 7,7-dimethyl-2,5-dioxo-1-pyridin-3-yl-6,8-dihydroquinoline-3-carboxylic acid is CC1(C)CC(=O)c2cc(C(=O)O)c(=O)n(-c3cccnc3)c2C1.
What is the InChIKey of 7,7-dimethyl-2,5-dioxo-1-pyridin-3-yl-6,8-dihydroquinoline-3-carboxylic acid?
The InChIKey is NCKOVUOUYBMPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-17(2)7-13-11(14(20)8-17)6-12(16(22)23)15(21)19(13)10-4-3-5-18-9-10/h3-6,9H,7-8H2,1-2H3,(H,22,23).
What are the key properties of 7,7-dimethyl-2,5-dioxo-1-pyridin-3-yl-6,8-dihydroquinoline-3-carboxylic acid?
7,7-dimethyl-2,5-dioxo-1-pyridin-3-yl-6,8-dihydroquinoline-3-carboxylic acid has a molecular weight of 312.32 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2,5-dioxo-1-pyridin-3-yl-6,8-dihydroquinoline-3-carboxylic acid is sourced from PubChem (CID 130447834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).