2-oxo-1-(pyridin-4-ylmethyl)-3,4-dihydroquinoline-6-carboxylic acid

C16H14N2O3 — CID 102711258

IUPAC2-oxo-1-(pyridin-4-ylmethyl)-3,4-dihydroquinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCC(=O)N2Cc1ccncc1
InChIInChI=1S/C16H14N2O3/c19-15-4-2-12-9-13(16(20)21)1-3-14(12)18(15)10-11-5-7-17-8-6-11/h1,3,5-9H,2,4,10H2,(H,20,21)
InChIKeyXTQSCMGRTFUOBU-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.26
Rot. Bonds3

About 2-oxo-1-(pyridin-4-ylmethyl)-3,4-dihydroquinoline-6-carboxylic acid

2-oxo-1-(pyridin-4-ylmethyl)-3,4-dihydroquinoline-6-carboxylic acid (PubChem CID 102711258) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-oxo-1-(pyridin-4-ylmethyl)-3,4-dihydroquinoline-6-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-(pyridin-4-ylmethyl)-3,4-dihydroquinoline-6-carboxylic acid
PubChem CID102711258
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-oxo-1-(pyridin-4-ylmethyl)-3,4-dihydroquinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCC(=O)N2Cc1ccncc1
InChIInChI=1S/C16H14N2O3/c19-15-4-2-12-9-13(16(20)21)1-3-14(12)18(15)10-11-5-7-17-8-6-11/h1,3,5-9H,2,4,10H2,(H,20,21)
InChIKeyXTQSCMGRTFUOBU-UHFFFAOYSA-N
XLogP2.26
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(pyridin-4-ylmethyl)-3,4-dihydroquinoline-6-carboxylic acid?
The IUPAC name of 2-oxo-1-(pyridin-4-ylmethyl)-3,4-dihydroquinoline-6-carboxylic acid (CID 102711258) is 2-oxo-1-(pyridin-4-ylmethyl)-3,4-dihydroquinoline-6-carboxylic acid.
What is the SMILES notation for 2-oxo-1-(pyridin-4-ylmethyl)-3,4-dihydroquinoline-6-carboxylic acid?
The canonical SMILES for 2-oxo-1-(pyridin-4-ylmethyl)-3,4-dihydroquinoline-6-carboxylic acid is O=C(O)c1ccc2c(c1)CCC(=O)N2Cc1ccncc1.
What is the InChIKey of 2-oxo-1-(pyridin-4-ylmethyl)-3,4-dihydroquinoline-6-carboxylic acid?
The InChIKey is XTQSCMGRTFUOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-15-4-2-12-9-13(16(20)21)1-3-14(12)18(15)10-11-5-7-17-8-6-11/h1,3,5-9H,2,4,10H2,(H,20,21).
What are the key properties of 2-oxo-1-(pyridin-4-ylmethyl)-3,4-dihydroquinoline-6-carboxylic acid?
2-oxo-1-(pyridin-4-ylmethyl)-3,4-dihydroquinoline-6-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(pyridin-4-ylmethyl)-3,4-dihydroquinoline-6-carboxylic acid is sourced from PubChem (CID 102711258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).