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

C18H17NO4 — CID 872009

IUPAC7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxylic acid
SMILESCC1(C)CC(=O)c2cc(C(=O)O)c(=O)n(-c3ccccc3)c2C1
InChIInChI=1S/C18H17NO4/c1-18(2)9-14-12(15(20)10-18)8-13(17(22)23)16(21)19(14)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3,(H,22,23)
InChIKeyCJBODQBJMBBQAQ-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.69
Rot. Bonds2

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

7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxylic acid (PubChem CID 872009) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxylic acid
PubChem CID872009
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxylic acid
SMILESCC1(C)CC(=O)c2cc(C(=O)O)c(=O)n(-c3ccccc3)c2C1
InChIInChI=1S/C18H17NO4/c1-18(2)9-14-12(15(20)10-18)8-13(17(22)23)16(21)19(14)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3,(H,22,23)
InChIKeyCJBODQBJMBBQAQ-UHFFFAOYSA-N
XLogP2.69
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxylic acid?
The IUPAC name of 7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxylic acid (CID 872009) is 7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxylic acid.
What is the SMILES notation for 7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxylic acid?
The canonical SMILES for 7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxylic acid is CC1(C)CC(=O)c2cc(C(=O)O)c(=O)n(-c3ccccc3)c2C1.
What is the InChIKey of 7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxylic acid?
The InChIKey is CJBODQBJMBBQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-18(2)9-14-12(15(20)10-18)8-13(17(22)23)16(21)19(14)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3,(H,22,23).
What are the key properties of 7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxylic acid?
7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxylic acid has a molecular weight of 311.34 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxylic acid is sourced from PubChem (CID 872009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).