2-(6-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzoic acid

C19H19NO3 — CID 663165

IUPAC2-(6-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzoic acid
SMILESCCc1ccc2c(c1)CCCN2C(=O)c1ccccc1C(=O)O
InChIInChI=1S/C19H19NO3/c1-2-13-9-10-17-14(12-13)6-5-11-20(17)18(21)15-7-3-4-8-16(15)19(22)23/h3-4,7-10,12H,2,5-6,11H2,1H3,(H,22,23)
InChIKeyBMYJBBYLZXNRQB-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.54
Rot. Bonds3

About 2-(6-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzoic acid

2-(6-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzoic acid (PubChem CID 663165) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(6-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzoic acid.

Molecular Properties

Compound Name2-(6-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzoic acid
PubChem CID663165
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name2-(6-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzoic acid
SMILESCCc1ccc2c(c1)CCCN2C(=O)c1ccccc1C(=O)O
InChIInChI=1S/C19H19NO3/c1-2-13-9-10-17-14(12-13)6-5-11-20(17)18(21)15-7-3-4-8-16(15)19(22)23/h3-4,7-10,12H,2,5-6,11H2,1H3,(H,22,23)
InChIKeyBMYJBBYLZXNRQB-UHFFFAOYSA-N
XLogP3.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzoic acid?
The IUPAC name of 2-(6-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzoic acid (CID 663165) is 2-(6-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzoic acid.
What is the SMILES notation for 2-(6-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzoic acid?
The canonical SMILES for 2-(6-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzoic acid is CCc1ccc2c(c1)CCCN2C(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-(6-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzoic acid?
The InChIKey is BMYJBBYLZXNRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-2-13-9-10-17-14(12-13)6-5-11-20(17)18(21)15-7-3-4-8-16(15)19(22)23/h3-4,7-10,12H,2,5-6,11H2,1H3,(H,22,23).
What are the key properties of 2-(6-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzoic acid?
2-(6-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzoic acid has a molecular weight of 309.37 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzoic acid is sourced from PubChem (CID 663165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).