6,6-dimethyl-2-propan-2-yl-7,8-dihydro-5H-quinoline-3-carboxylic acid

C15H21NO2 — CID 116533530

IUPAC6,6-dimethyl-2-propan-2-yl-7,8-dihydro-5H-quinoline-3-carboxylic acid
SMILESCC(C)c1nc2c(cc1C(=O)O)CC(C)(C)CC2
InChIInChI=1S/C15H21NO2/c1-9(2)13-11(14(17)18)7-10-8-15(3,4)6-5-12(10)16-13/h7,9H,5-6,8H2,1-4H3,(H,17,18)
InChIKeyNSGQPKOXFPQSTJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.42
Rot. Bonds2

About 6,6-dimethyl-2-propan-2-yl-7,8-dihydro-5H-quinoline-3-carboxylic acid

6,6-dimethyl-2-propan-2-yl-7,8-dihydro-5H-quinoline-3-carboxylic acid (PubChem CID 116533530) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 6,6-dimethyl-2-propan-2-yl-7,8-dihydro-5H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6,6-dimethyl-2-propan-2-yl-7,8-dihydro-5H-quinoline-3-carboxylic acid
PubChem CID116533530
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name6,6-dimethyl-2-propan-2-yl-7,8-dihydro-5H-quinoline-3-carboxylic acid
SMILESCC(C)c1nc2c(cc1C(=O)O)CC(C)(C)CC2
InChIInChI=1S/C15H21NO2/c1-9(2)13-11(14(17)18)7-10-8-15(3,4)6-5-12(10)16-13/h7,9H,5-6,8H2,1-4H3,(H,17,18)
InChIKeyNSGQPKOXFPQSTJ-UHFFFAOYSA-N
XLogP3.42
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,6-dimethyl-2-propan-2-yl-7,8-dihydro-5H-quinoline-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-6,6-dimethyl-7,8-dihydro-5H-quinoline-3-carboxylic acid
CID 171396988
2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 116533417
2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 84684770
7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid
CID 116533513
6-cyclopropyl-5-methyl-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533494
(7R)-4,7-difluoro-7-propan-2-yl-6,8-dihydro-5H-acridine-2-carboxylic acid
CID 155319972
ethyl 6,6-dioxo-2-propan-2-yl-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carboxylate
CID 116533353
6-propan-2-yl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 84722044
2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62702838
5,5-dimethyl-2-propan-2-yl-6,7-dihydro-4H-indazole-3-carboxylic acid
CID 130240334
2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 5149881
2-cyclopropyl-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid
CID 116533735

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-propan-2-yl-7,8-dihydro-5H-quinoline-3-carboxylic acid?
The IUPAC name of 6,6-dimethyl-2-propan-2-yl-7,8-dihydro-5H-quinoline-3-carboxylic acid (CID 116533530) is 6,6-dimethyl-2-propan-2-yl-7,8-dihydro-5H-quinoline-3-carboxylic acid.
What is the SMILES notation for 6,6-dimethyl-2-propan-2-yl-7,8-dihydro-5H-quinoline-3-carboxylic acid?
The canonical SMILES for 6,6-dimethyl-2-propan-2-yl-7,8-dihydro-5H-quinoline-3-carboxylic acid is CC(C)c1nc2c(cc1C(=O)O)CC(C)(C)CC2.
What is the InChIKey of 6,6-dimethyl-2-propan-2-yl-7,8-dihydro-5H-quinoline-3-carboxylic acid?
The InChIKey is NSGQPKOXFPQSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-9(2)13-11(14(17)18)7-10-8-15(3,4)6-5-12(10)16-13/h7,9H,5-6,8H2,1-4H3,(H,17,18).
What are the key properties of 6,6-dimethyl-2-propan-2-yl-7,8-dihydro-5H-quinoline-3-carboxylic acid?
6,6-dimethyl-2-propan-2-yl-7,8-dihydro-5H-quinoline-3-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-propan-2-yl-7,8-dihydro-5H-quinoline-3-carboxylic acid is sourced from PubChem (CID 116533530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).