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

C13H17NO2 — CID 84684770

IUPAC2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESCC(C)c1nc2c(cc1C(=O)O)CCCC2
InChIInChI=1S/C13H17NO2/c1-8(2)12-10(13(15)16)7-9-5-3-4-6-11(9)14-12/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyVIZAZNCTFPZRCP-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.78
Rot. Bonds2

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

2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (PubChem CID 84684770) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
PubChem CID84684770
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESCC(C)c1nc2c(cc1C(=O)O)CCCC2
InChIInChI=1S/C13H17NO2/c1-8(2)12-10(13(15)16)7-9-5-3-4-6-11(9)14-12/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyVIZAZNCTFPZRCP-UHFFFAOYSA-N
XLogP2.78
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 116533417
6,6-dimethyl-2-propan-2-yl-7,8-dihydro-5H-quinoline-3-carboxylic acid
CID 116533530
2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 5149881
2-(3-methylbutan-2-ylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 107757944
2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62702838
2-[methyl(3-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62701660
7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid
CID 116533513
2-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62703356
2-[2-methylpropyl(propan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62703046
2-(5-methylhexylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 115327353
2-(1-ethoxypropan-2-ylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 62710679
2-(2-propan-2-yloxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 55107666

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The IUPAC name of 2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (CID 84684770) is 2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.
What is the SMILES notation for 2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The canonical SMILES for 2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is CC(C)c1nc2c(cc1C(=O)O)CCCC2.
What is the InChIKey of 2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The InChIKey is VIZAZNCTFPZRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-8(2)12-10(13(15)16)7-9-5-3-4-6-11(9)14-12/h7-8H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid has a molecular weight of 219.28 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is sourced from PubChem (CID 84684770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).