1-(2-methylquinoline-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid

C20H16N2O3 — CID 120691663

IUPAC1-(2-methylquinoline-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCc1cc(C(=O)N2CC(C(=O)O)c3ccccc32)c2ccccc2n1
InChIInChI=1S/C20H16N2O3/c1-12-10-15(13-6-2-4-8-17(13)21-12)19(23)22-11-16(20(24)25)14-7-3-5-9-18(14)22/h2-10,16H,11H2,1H3,(H,24,25)
InChIKeyFJMFRNPXGHANHN-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.37
Rot. Bonds2

About 1-(2-methylquinoline-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid

1-(2-methylquinoline-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 120691663) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1-(2-methylquinoline-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylquinoline-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID120691663
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name1-(2-methylquinoline-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCc1cc(C(=O)N2CC(C(=O)O)c3ccccc32)c2ccccc2n1
InChIInChI=1S/C20H16N2O3/c1-12-10-15(13-6-2-4-8-17(13)21-12)19(23)22-11-16(20(24)25)14-7-3-5-9-18(14)22/h2-10,16H,11H2,1H3,(H,24,25)
InChIKeyFJMFRNPXGHANHN-UHFFFAOYSA-N
XLogP3.37
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2,5-dimethylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124574032
(3S)-1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124574107
1-(3-methyl-1,2-oxazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564086
(3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 63105082
1-(2-bromobenzoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564888
(3S,4S)-4-methyl-1-(2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952992
(3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 51161951
1-(6-chloropyridine-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80562800
1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 24698090
[4-(2-chlorophenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 27535973
1-(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691327
6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 122083564

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylquinoline-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-(2-methylquinoline-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid (CID 120691663) is 1-(2-methylquinoline-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-(2-methylquinoline-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-(2-methylquinoline-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid is Cc1cc(C(=O)N2CC(C(=O)O)c3ccccc32)c2ccccc2n1.
What is the InChIKey of 1-(2-methylquinoline-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is FJMFRNPXGHANHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-12-10-15(13-6-2-4-8-17(13)21-12)19(23)22-11-16(20(24)25)14-7-3-5-9-18(14)22/h2-10,16H,11H2,1H3,(H,24,25).
What are the key properties of 1-(2-methylquinoline-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
1-(2-methylquinoline-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 332.36 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylquinoline-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 120691663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).