4-hydroxy-2-phenyl-3,4a-dihydro-2H-quinoline-4-carboxylic acid

C16H15NO3 — CID 135022370

IUPAC4-hydroxy-2-phenyl-3,4a-dihydro-2H-quinoline-4-carboxylic acid
SMILESO=C(O)C1(O)CC(c2ccccc2)N=C2C=CC=CC21
InChIInChI=1S/C16H15NO3/c18-15(19)16(20)10-14(11-6-2-1-3-7-11)17-13-9-5-4-8-12(13)16/h1-9,12,14,20H,10H2,(H,18,19)
InChIKeyYCFKMHSXDWPKSE-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.13
Rot. Bonds2

About 4-hydroxy-2-phenyl-3,4a-dihydro-2H-quinoline-4-carboxylic acid

4-hydroxy-2-phenyl-3,4a-dihydro-2H-quinoline-4-carboxylic acid (PubChem CID 135022370) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-hydroxy-2-phenyl-3,4a-dihydro-2H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-2-phenyl-3,4a-dihydro-2H-quinoline-4-carboxylic acid
PubChem CID135022370
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name4-hydroxy-2-phenyl-3,4a-dihydro-2H-quinoline-4-carboxylic acid
SMILESO=C(O)C1(O)CC(c2ccccc2)N=C2C=CC=CC21
InChIInChI=1S/C16H15NO3/c18-15(19)16(20)10-14(11-6-2-1-3-7-11)17-13-9-5-4-8-12(13)16/h1-9,12,14,20H,10H2,(H,18,19)
InChIKeyYCFKMHSXDWPKSE-UHFFFAOYSA-N
XLogP2.13
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-phenyl-3,4a-dihydro-2H-quinoline-4-carboxylic acid?
The IUPAC name of 4-hydroxy-2-phenyl-3,4a-dihydro-2H-quinoline-4-carboxylic acid (CID 135022370) is 4-hydroxy-2-phenyl-3,4a-dihydro-2H-quinoline-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-2-phenyl-3,4a-dihydro-2H-quinoline-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-2-phenyl-3,4a-dihydro-2H-quinoline-4-carboxylic acid is O=C(O)C1(O)CC(c2ccccc2)N=C2C=CC=CC21.
What is the InChIKey of 4-hydroxy-2-phenyl-3,4a-dihydro-2H-quinoline-4-carboxylic acid?
The InChIKey is YCFKMHSXDWPKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c18-15(19)16(20)10-14(11-6-2-1-3-7-11)17-13-9-5-4-8-12(13)16/h1-9,12,14,20H,10H2,(H,18,19).
What are the key properties of 4-hydroxy-2-phenyl-3,4a-dihydro-2H-quinoline-4-carboxylic acid?
4-hydroxy-2-phenyl-3,4a-dihydro-2H-quinoline-4-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-phenyl-3,4a-dihydro-2H-quinoline-4-carboxylic acid is sourced from PubChem (CID 135022370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).