3-(3-hydroxyphenyl)-3,4-dihydroquinoline-7-carboxylic acid

C16H13NO3 — CID 143237233

IUPAC3-(3-hydroxyphenyl)-3,4-dihydroquinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)N=CC(c1cccc(O)c1)C2
InChIInChI=1S/C16H13NO3/c18-14-3-1-2-10(7-14)13-6-11-4-5-12(16(19)20)8-15(11)17-9-13/h1-5,7-9,13,18H,6H2,(H,19,20)
InChIKeyLQPACEAMPHWJCV-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.13
Rot. Bonds2

About 3-(3-hydroxyphenyl)-3,4-dihydroquinoline-7-carboxylic acid

3-(3-hydroxyphenyl)-3,4-dihydroquinoline-7-carboxylic acid (PubChem CID 143237233) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-3,4-dihydroquinoline-7-carboxylic acid.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-3,4-dihydroquinoline-7-carboxylic acid
PubChem CID143237233
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name3-(3-hydroxyphenyl)-3,4-dihydroquinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)N=CC(c1cccc(O)c1)C2
InChIInChI=1S/C16H13NO3/c18-14-3-1-2-10(7-14)13-6-11-4-5-12(16(19)20)8-15(11)17-9-13/h1-5,7-9,13,18H,6H2,(H,19,20)
InChIKeyLQPACEAMPHWJCV-UHFFFAOYSA-N
XLogP3.13
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 174830791
CID 174830791
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CID 66671873
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CID 75682864
benzene-1,3-diol;benzoic acid
CID 53446063
3H-indazole-6-carboxylic acid
CID 124518030
4-bromo-3-(3-hydroxyphenyl)benzoic acid
CID 115053012
actinium;6-hydroxynaphthalene-2-carboxylic acid
CID 59891781
tris(benzene-1,3-dicarboxylic acid);terephthalic acid
CID 173416793
benzene-1,3-diol;3-methylbenzoic acid
CID 174723405
naphthalene-2-carboxylic acid;naphthalen-2-ol
CID 161405760
3-(2-hydroxycyclopropyl)benzoic acid
CID 115015082

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-3,4-dihydroquinoline-7-carboxylic acid?
The IUPAC name of 3-(3-hydroxyphenyl)-3,4-dihydroquinoline-7-carboxylic acid (CID 143237233) is 3-(3-hydroxyphenyl)-3,4-dihydroquinoline-7-carboxylic acid.
What is the SMILES notation for 3-(3-hydroxyphenyl)-3,4-dihydroquinoline-7-carboxylic acid?
The canonical SMILES for 3-(3-hydroxyphenyl)-3,4-dihydroquinoline-7-carboxylic acid is O=C(O)c1ccc2c(c1)N=CC(c1cccc(O)c1)C2.
What is the InChIKey of 3-(3-hydroxyphenyl)-3,4-dihydroquinoline-7-carboxylic acid?
The InChIKey is LQPACEAMPHWJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c18-14-3-1-2-10(7-14)13-6-11-4-5-12(16(19)20)8-15(11)17-9-13/h1-5,7-9,13,18H,6H2,(H,19,20).
What are the key properties of 3-(3-hydroxyphenyl)-3,4-dihydroquinoline-7-carboxylic acid?
3-(3-hydroxyphenyl)-3,4-dihydroquinoline-7-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-3,4-dihydroquinoline-7-carboxylic acid is sourced from PubChem (CID 143237233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).