2-methyl-6-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

C14H19NO2 — CID 112561977

IUPAC2-methyl-6-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESCc1nc2c(cc1C(=O)O)CC(C(C)C)CC2
InChIInChI=1S/C14H19NO2/c1-8(2)10-4-5-13-11(6-10)7-12(14(16)17)9(3)15-13/h7-8,10H,4-6H2,1-3H3,(H,16,17)
InChIKeyCHNHPZVGHRIBMF-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.85
Rot. Bonds2

About 2-methyl-6-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

2-methyl-6-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (PubChem CID 112561977) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methyl-6-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
PubChem CID112561977
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-methyl-6-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESCc1nc2c(cc1C(=O)O)CC(C(C)C)CC2
InChIInChI=1S/C14H19NO2/c1-8(2)10-4-5-13-11(6-10)7-12(14(16)17)9(3)15-13/h7-8,10H,4-6H2,1-3H3,(H,16,17)
InChIKeyCHNHPZVGHRIBMF-UHFFFAOYSA-N
XLogP2.85
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-methyl-6-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate
CID 112561915
6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid
CID 143292511
ethane;N-methylhydroxylamine;6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbaldehyde
CID 143292828
2-methyl-7-[(3R)-oxolan-3-yl]-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxylic acid
CID 97389786
2-tert-butyl-6-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 116533824
5,12-dimethyl-6,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-4-carboxylic acid
CID 112562021
3,6-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline
CID 82113977
2,6,8-trimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 112562023
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
2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62702838
7-tert-butyl-5,6,7,8-tetrahydroacridine-2-carboxylic acid
CID 155320047

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The IUPAC name of 2-methyl-6-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (CID 112561977) is 2-methyl-6-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.
What is the SMILES notation for 2-methyl-6-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The canonical SMILES for 2-methyl-6-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is Cc1nc2c(cc1C(=O)O)CC(C(C)C)CC2.
What is the InChIKey of 2-methyl-6-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The InChIKey is CHNHPZVGHRIBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-8(2)10-4-5-13-11(6-10)7-12(14(16)17)9(3)15-13/h7-8,10H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-6-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
2-methyl-6-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid has a molecular weight of 233.31 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is sourced from PubChem (CID 112561977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).