4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbenzoic acid

C17H17NO2 — CID 62136292

IUPAC4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbenzoic acid
SMILESCc1cc(N2CCCc3ccccc32)ccc1C(=O)O
InChIInChI=1S/C17H17NO2/c1-12-11-14(8-9-15(12)17(19)20)18-10-4-6-13-5-2-3-7-16(13)18/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,19,20)
InChIKeyORWZJSKEEZUOGR-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.78
Rot. Bonds2

About 4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbenzoic acid

4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbenzoic acid (PubChem CID 62136292) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbenzoic acid.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbenzoic acid
PubChem CID62136292
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbenzoic acid
SMILESCc1cc(N2CCCc3ccccc32)ccc1C(=O)O
InChIInChI=1S/C17H17NO2/c1-12-11-14(8-9-15(12)17(19)20)18-10-4-6-13-5-2-3-7-16(13)18/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,19,20)
InChIKeyORWZJSKEEZUOGR-UHFFFAOYSA-N
XLogP3.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)benzenecarboximidamide
CID 81268399
1-[4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylphenyl]-N-methylmethanamine
CID 62134837
5-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbenzoic acid;(1R)-N-methyl-1-naphthalen-1-ylethanamine
CID 144582208
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylbenzoic acid
CID 103496508
ethane;1-phenyl-3,4-dihydro-2H-quinoline
CID 145126037
3-amino-4-(3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 60989495
methyl 6-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpyridine-3-carboxylate
CID 102545818
2-bromo-4-(3,4-dihydro-2H-quinolin-1-yl)benzaldehyde
CID 114060001
2-amino-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)benzoic acid
CID 115546412
4-(3,4-dihydro-2H-quinolin-1-yl)-3,5-difluorobenzoic acid
CID 63537981
1-(3-ethylphenyl)-3,4-dihydro-2H-quinoline
CID 67553271
4-(3,4-dihydro-2H-quinolin-1-yl)-N-phenylpyridine-2-carboxamide
CID 109218742

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbenzoic acid?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbenzoic acid (CID 62136292) is 4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbenzoic acid.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbenzoic acid?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbenzoic acid is Cc1cc(N2CCCc3ccccc32)ccc1C(=O)O.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbenzoic acid?
The InChIKey is ORWZJSKEEZUOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12-11-14(8-9-15(12)17(19)20)18-10-4-6-13-5-2-3-7-16(13)18/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,19,20).
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbenzoic acid?
4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbenzoic acid has a molecular weight of 267.33 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbenzoic acid is sourced from PubChem (CID 62136292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).