6-phenyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid

C16H15NO2 — CID 67893760

IUPAC6-phenyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)cc2c1NCCC2
InChIInChI=1S/C16H15NO2/c18-16(19)14-10-13(11-5-2-1-3-6-11)9-12-7-4-8-17-15(12)14/h1-3,5-6,9-10,17H,4,7-8H2,(H,18,19)
InChIKeyZCWJSKGRUOMMQT-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.41
Rot. Bonds2

About 6-phenyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid

6-phenyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid (PubChem CID 67893760) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 6-phenyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid.

Molecular Properties

Compound Name6-phenyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid
PubChem CID67893760
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name6-phenyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)cc2c1NCCC2
InChIInChI=1S/C16H15NO2/c18-16(19)14-10-13(11-5-2-1-3-6-11)9-12-7-4-8-17-15(12)14/h1-3,5-6,9-10,17H,4,7-8H2,(H,18,19)
InChIKeyZCWJSKGRUOMMQT-UHFFFAOYSA-N
XLogP3.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-benzyl-N-phenyl-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 142306764
1,2,3,4-tetrahydroquinoline-5,8-dicarboxylic acid
CID 58753408
7-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
CID 171080337
(2,4-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
CID 62332348
N-methyl-1,2,3,4-tetrahydroquinoline-8-carboxamide;hydrochloride
CID 146675579
6,8-dibenzyl-1,2,3,4-tetrahydroquinoline
CID 142306850
2-(2,3-dihydro-1H-indol-5-yl)benzoic acid
CID 82039135
6,7,8,9-tetrahydro-1H-pyrrolo[3,2-h]quinoline-2-carboxylic acid
CID 96611218
2-ethynyl-5-phenylbenzene-1,3-dicarboxylic acid
CID 150211011
2-ethenyl-5-phenylbenzene-1,3-dicarboxylic acid
CID 175572544
2-methoxy-5-phenylbenzene-1,3-dicarboxylic acid
CID 117100492
1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]cyclopropane-1-carboxylic acid
CID 82039142

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid?
The IUPAC name of 6-phenyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid (CID 67893760) is 6-phenyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid.
What is the SMILES notation for 6-phenyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid?
The canonical SMILES for 6-phenyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid is O=C(O)c1cc(-c2ccccc2)cc2c1NCCC2.
What is the InChIKey of 6-phenyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid?
The InChIKey is ZCWJSKGRUOMMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c18-16(19)14-10-13(11-5-2-1-3-6-11)9-12-7-4-8-17-15(12)14/h1-3,5-6,9-10,17H,4,7-8H2,(H,18,19).
What are the key properties of 6-phenyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid?
6-phenyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid is sourced from PubChem (CID 67893760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).