4-(8,8-dimethyl-6-oxo-5,7-dihydro-1H-imidazo[4,5-g]quinolin-2-yl)benzoic acid

C19H17N3O3 — CID 19896803

IUPAC4-(8,8-dimethyl-6-oxo-5,7-dihydro-1H-imidazo[4,5-g]quinolin-2-yl)benzoic acid
SMILESCC1(C)CC(=O)Nc2cc3nc(-c4ccc(C(=O)O)cc4)[nH]c3cc21
InChIInChI=1S/C19H17N3O3/c1-19(2)9-16(23)20-13-8-15-14(7-12(13)19)21-17(22-15)10-3-5-11(6-4-10)18(24)25/h3-8H,9H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)
InChIKeyGALKZGHHBWRHIW-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.55
Rot. Bonds2

About 4-(8,8-dimethyl-6-oxo-5,7-dihydro-1H-imidazo[4,5-g]quinolin-2-yl)benzoic acid

4-(8,8-dimethyl-6-oxo-5,7-dihydro-1H-imidazo[4,5-g]quinolin-2-yl)benzoic acid (PubChem CID 19896803) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-(8,8-dimethyl-6-oxo-5,7-dihydro-1H-imidazo[4,5-g]quinolin-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(8,8-dimethyl-6-oxo-5,7-dihydro-1H-imidazo[4,5-g]quinolin-2-yl)benzoic acid
PubChem CID19896803
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name4-(8,8-dimethyl-6-oxo-5,7-dihydro-1H-imidazo[4,5-g]quinolin-2-yl)benzoic acid
SMILESCC1(C)CC(=O)Nc2cc3nc(-c4ccc(C(=O)O)cc4)[nH]c3cc21
InChIInChI=1S/C19H17N3O3/c1-19(2)9-16(23)20-13-8-15-14(7-12(13)19)21-17(22-15)10-3-5-11(6-4-10)18(24)25/h3-8H,9H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)
InChIKeyGALKZGHHBWRHIW-UHFFFAOYSA-N
XLogP3.55
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(8,8-dimethyl-6-oxo-5,7-dihydro-1H-imidazo[4,5-g]quinolin-2-yl)benzoic acid?
The IUPAC name of 4-(8,8-dimethyl-6-oxo-5,7-dihydro-1H-imidazo[4,5-g]quinolin-2-yl)benzoic acid (CID 19896803) is 4-(8,8-dimethyl-6-oxo-5,7-dihydro-1H-imidazo[4,5-g]quinolin-2-yl)benzoic acid.
What is the SMILES notation for 4-(8,8-dimethyl-6-oxo-5,7-dihydro-1H-imidazo[4,5-g]quinolin-2-yl)benzoic acid?
The canonical SMILES for 4-(8,8-dimethyl-6-oxo-5,7-dihydro-1H-imidazo[4,5-g]quinolin-2-yl)benzoic acid is CC1(C)CC(=O)Nc2cc3nc(-c4ccc(C(=O)O)cc4)[nH]c3cc21.
What is the InChIKey of 4-(8,8-dimethyl-6-oxo-5,7-dihydro-1H-imidazo[4,5-g]quinolin-2-yl)benzoic acid?
The InChIKey is GALKZGHHBWRHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-19(2)9-16(23)20-13-8-15-14(7-12(13)19)21-17(22-15)10-3-5-11(6-4-10)18(24)25/h3-8H,9H2,1-2H3,(H,20,23)(H,21,22)(H,24,25).
What are the key properties of 4-(8,8-dimethyl-6-oxo-5,7-dihydro-1H-imidazo[4,5-g]quinolin-2-yl)benzoic acid?
4-(8,8-dimethyl-6-oxo-5,7-dihydro-1H-imidazo[4,5-g]quinolin-2-yl)benzoic acid has a molecular weight of 335.36 g/mol, XLogP of 3.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8,8-dimethyl-6-oxo-5,7-dihydro-1H-imidazo[4,5-g]quinolin-2-yl)benzoic acid is sourced from PubChem (CID 19896803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).