4-hydroxy-1-methyl-2-oxo-3-phenyl-5,6,7,8-tetrahydroquinoline-8-carboxylic acid

C17H17NO4 — CID 171976188

IUPAC4-hydroxy-1-methyl-2-oxo-3-phenyl-5,6,7,8-tetrahydroquinoline-8-carboxylic acid
SMILESCn1c2c(c(O)c(-c3ccccc3)c1=O)CCCC2C(=O)O
InChIInChI=1S/C17H17NO4/c1-18-14-11(8-5-9-12(14)17(21)22)15(19)13(16(18)20)10-6-3-2-4-7-10/h2-4,6-7,12,19H,5,8-9H2,1H3,(H,21,22)
InChIKeyQBNWRLDCDXPRPC-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.26
Rot. Bonds2

About 4-hydroxy-1-methyl-2-oxo-3-phenyl-5,6,7,8-tetrahydroquinoline-8-carboxylic acid

4-hydroxy-1-methyl-2-oxo-3-phenyl-5,6,7,8-tetrahydroquinoline-8-carboxylic acid (PubChem CID 171976188) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-2-oxo-3-phenyl-5,6,7,8-tetrahydroquinoline-8-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-methyl-2-oxo-3-phenyl-5,6,7,8-tetrahydroquinoline-8-carboxylic acid
PubChem CID171976188
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name4-hydroxy-1-methyl-2-oxo-3-phenyl-5,6,7,8-tetrahydroquinoline-8-carboxylic acid
SMILESCn1c2c(c(O)c(-c3ccccc3)c1=O)CCCC2C(=O)O
InChIInChI=1S/C17H17NO4/c1-18-14-11(8-5-9-12(14)17(21)22)15(19)13(16(18)20)10-6-3-2-4-7-10/h2-4,6-7,12,19H,5,8-9H2,1H3,(H,21,22)
InChIKeyQBNWRLDCDXPRPC-UHFFFAOYSA-N
XLogP2.26
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-2-oxo-3-phenyl-5,6,7,8-tetrahydroquinoline-8-carboxylic acid?
The IUPAC name of 4-hydroxy-1-methyl-2-oxo-3-phenyl-5,6,7,8-tetrahydroquinoline-8-carboxylic acid (CID 171976188) is 4-hydroxy-1-methyl-2-oxo-3-phenyl-5,6,7,8-tetrahydroquinoline-8-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-methyl-2-oxo-3-phenyl-5,6,7,8-tetrahydroquinoline-8-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-methyl-2-oxo-3-phenyl-5,6,7,8-tetrahydroquinoline-8-carboxylic acid is Cn1c2c(c(O)c(-c3ccccc3)c1=O)CCCC2C(=O)O.
What is the InChIKey of 4-hydroxy-1-methyl-2-oxo-3-phenyl-5,6,7,8-tetrahydroquinoline-8-carboxylic acid?
The InChIKey is QBNWRLDCDXPRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-18-14-11(8-5-9-12(14)17(21)22)15(19)13(16(18)20)10-6-3-2-4-7-10/h2-4,6-7,12,19H,5,8-9H2,1H3,(H,21,22).
What are the key properties of 4-hydroxy-1-methyl-2-oxo-3-phenyl-5,6,7,8-tetrahydroquinoline-8-carboxylic acid?
4-hydroxy-1-methyl-2-oxo-3-phenyl-5,6,7,8-tetrahydroquinoline-8-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-2-oxo-3-phenyl-5,6,7,8-tetrahydroquinoline-8-carboxylic acid is sourced from PubChem (CID 171976188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).