4-hydroxy-2-oxo-N-phenyl-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide

C19H22N2O3 — CID 54677841

IUPAC4-hydroxy-2-oxo-N-phenyl-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCCCn1c2c(c(O)c(C(=O)Nc3ccccc3)c1=O)CCCC2
InChIInChI=1S/C19H22N2O3/c1-2-12-21-15-11-7-6-10-14(15)17(22)16(19(21)24)18(23)20-13-8-4-3-5-9-13/h3-5,8-9,22H,2,6-7,10-12H2,1H3,(H,20,23)
InChIKeyANEXYELKQPIVCN-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.10
Rot. Bonds4

About 4-hydroxy-2-oxo-N-phenyl-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide

4-hydroxy-2-oxo-N-phenyl-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 54677841) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-N-phenyl-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-N-phenyl-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID54677841
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name4-hydroxy-2-oxo-N-phenyl-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCCCn1c2c(c(O)c(C(=O)Nc3ccccc3)c1=O)CCCC2
InChIInChI=1S/C19H22N2O3/c1-2-12-21-15-11-7-6-10-14(15)17(22)16(19(21)24)18(23)20-13-8-4-3-5-9-13/h3-5,8-9,22H,2,6-7,10-12H2,1H3,(H,20,23)
InChIKeyANEXYELKQPIVCN-UHFFFAOYSA-N
XLogP3.10
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Roquinimex
CID 54676478
3-Quinolinecarboxamide, 1,2-dihydro-N-hexyl-4-hydroxy-2-oxo-
CID 54677800
N-benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54680441
3-Quinolinecarboxamide, 1,2-dihydro-4-hydroxy-N-(1-methylethyl)-2-oxo-
CID 54679386
2-(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)-N,N-bis(3-methylbutyl)acetamide
CID 54688356
1-Butyl-4-hydroxy-N-(3-methylphenyl)-2-oxo-1,2-dihydro-3-quinolinecarboxamide
CID 54683118
1-Butyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid phenethyl-amide
CID 54682638
1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxoquinoline-3-carboxamide
CID 54681514
1-ethyl-4-hydroxy-N-(4-methylphenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54684065
4-Hydroxy-1-methyl-2-oxo-N-(2-phenylethyl)-1,2-dihydroquinoline-3-carboxamide
CID 54680142
4-Hydroxy-1-methyl-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid m-tolylamide
CID 54679771
3-Quinolinecarboxamide, 1,2-dihydro-N-ethyl-4-hydroxy-2-oxo-
CID 54680440

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-N-phenyl-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-N-phenyl-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide (CID 54677841) is 4-hydroxy-2-oxo-N-phenyl-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-N-phenyl-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-N-phenyl-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide is CCCn1c2c(c(O)c(C(=O)Nc3ccccc3)c1=O)CCCC2.
What is the InChIKey of 4-hydroxy-2-oxo-N-phenyl-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is ANEXYELKQPIVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-2-12-21-15-11-7-6-10-14(15)17(22)16(19(21)24)18(23)20-13-8-4-3-5-9-13/h3-5,8-9,22H,2,6-7,10-12H2,1H3,(H,20,23).
What are the key properties of 4-hydroxy-2-oxo-N-phenyl-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide?
4-hydroxy-2-oxo-N-phenyl-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-N-phenyl-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 54677841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).