4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C19H22N2O4 — CID 54677460

IUPAC4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2c(O)c3c([nH]c2=O)CCCC3)cc1
InChIInChI=1S/C19H22N2O4/c1-25-13-8-6-12(7-9-13)10-11-20-18(23)16-17(22)14-4-2-3-5-15(14)21-19(16)24/h6-9H,2-5,10-11H2,1H3,(H,20,23)(H2,21,22,24)
InChIKeyBFRZHIONYCPRSG-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.94
Rot. Bonds5

About 4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 54677460) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID54677460
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2c(O)c3c([nH]c2=O)CCCC3)cc1
InChIInChI=1S/C19H22N2O4/c1-25-13-8-6-12(7-9-13)10-11-20-18(23)16-17(22)14-4-2-3-5-15(14)21-19(16)24/h6-9H,2-5,10-11H2,1H3,(H,20,23)(H2,21,22,24)
InChIKeyBFRZHIONYCPRSG-UHFFFAOYSA-N
XLogP1.94
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 54677460) is 4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is COc1ccc(CCNC(=O)c2c(O)c3c([nH]c2=O)CCCC3)cc1.
What is the InChIKey of 4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is BFRZHIONYCPRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-25-13-8-6-12(7-9-13)10-11-20-18(23)16-17(22)14-4-2-3-5-15(14)21-19(16)24/h6-9H,2-5,10-11H2,1H3,(H,20,23)(H2,21,22,24).
What are the key properties of 4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54677460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).