5,7-dimethyl-2-propyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

C15H21NO2 — CID 116533209

IUPAC5,7-dimethyl-2-propyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESCCCc1nc2c(cc1C(=O)O)C(C)CC(C)C2
InChIInChI=1S/C15H21NO2/c1-4-5-13-12(15(17)18)8-11-10(3)6-9(2)7-14(11)16-13/h8-10H,4-7H2,1-3H3,(H,17,18)
InChIKeySQFIJZDFTSFVGU-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.42
Rot. Bonds3

About 5,7-dimethyl-2-propyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

5,7-dimethyl-2-propyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (PubChem CID 116533209) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 5,7-dimethyl-2-propyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name5,7-dimethyl-2-propyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
PubChem CID116533209
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name5,7-dimethyl-2-propyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESCCCc1nc2c(cc1C(=O)O)C(C)CC(C)C2
InChIInChI=1S/C15H21NO2/c1-4-5-13-12(15(17)18)8-11-10(3)6-9(2)7-14(11)16-13/h8-10H,4-7H2,1-3H3,(H,17,18)
InChIKeySQFIJZDFTSFVGU-UHFFFAOYSA-N
XLogP3.42
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

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Related Compounds

ethyl 5,7-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate
CID 116533338
2-ethyl-5,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid
CID 116533034
6-methyl-2-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
CID 116533203
2,6,8-trimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 112562023
2-ethyl-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 116533007
2-butyl-4-propylpyrimidine-5-carboxylic acid
CID 79412122
6-(4-methoxyphenyl)-5-methyl-2-propylpyridine-3-carboxylic acid
CID 116533249
7,7-dimethyl-2-propyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid
CID 116533293
1-methyl-2-oxo-4-propylpyrimidine-5-carboxylic acid
CID 116851742
5-(4-fluorophenyl)-6-methyl-2-propylpyridine-3-carboxylic acid
CID 114834320
6-phenyl-2-propylpyridine-3-carboxylic acid
CID 112693851
2-(3,5-dichlorophenyl)-4-propylpyrimidine-5-carboxylic acid
CID 107918025

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-propyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The IUPAC name of 5,7-dimethyl-2-propyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (CID 116533209) is 5,7-dimethyl-2-propyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.
What is the SMILES notation for 5,7-dimethyl-2-propyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The canonical SMILES for 5,7-dimethyl-2-propyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is CCCc1nc2c(cc1C(=O)O)C(C)CC(C)C2.
What is the InChIKey of 5,7-dimethyl-2-propyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The InChIKey is SQFIJZDFTSFVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-5-13-12(15(17)18)8-11-10(3)6-9(2)7-14(11)16-13/h8-10H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 5,7-dimethyl-2-propyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
5,7-dimethyl-2-propyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-propyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is sourced from PubChem (CID 116533209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).