4-hydroxy-N-(3-hydroxy-2-pyridinyl)-1-(2-methylpropyl)-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide

C19H23N3O4 — CID 54686950

IUPAC4-hydroxy-N-(3-hydroxy-2-pyridinyl)-1-(2-methylpropyl)-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCC(C)Cn1c2c(c(O)c(C(=O)Nc3ncccc3O)c1=O)CCCC2
InChIInChI=1S/C19H23N3O4/c1-11(2)10-22-13-7-4-3-6-12(13)16(24)15(19(22)26)18(25)21-17-14(23)8-5-9-20-17/h5,8-9,11,23-24H,3-4,6-7,10H2,1-2H3,(H,20,21,25)
InChIKeyVGBMNVSPBFTZDF-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.44
Rot. Bonds4

About 4-hydroxy-N-(3-hydroxy-2-pyridinyl)-1-(2-methylpropyl)-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide

4-hydroxy-N-(3-hydroxy-2-pyridinyl)-1-(2-methylpropyl)-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 54686950) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-hydroxy-N-(3-hydroxy-2-pyridinyl)-1-(2-methylpropyl)-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(3-hydroxy-2-pyridinyl)-1-(2-methylpropyl)-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID54686950
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name4-hydroxy-N-(3-hydroxy-2-pyridinyl)-1-(2-methylpropyl)-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCC(C)Cn1c2c(c(O)c(C(=O)Nc3ncccc3O)c1=O)CCCC2
InChIInChI=1S/C19H23N3O4/c1-11(2)10-22-13-7-4-3-6-12(13)16(24)15(19(22)26)18(25)21-17-14(23)8-5-9-20-17/h5,8-9,11,23-24H,3-4,6-7,10H2,1-2H3,(H,20,21,25)
InChIKeyVGBMNVSPBFTZDF-UHFFFAOYSA-N
XLogP2.44
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3-hydroxy-2-pyridinyl)-1-(2-methylpropyl)-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(3-hydroxy-2-pyridinyl)-1-(2-methylpropyl)-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide (CID 54686950) is 4-hydroxy-N-(3-hydroxy-2-pyridinyl)-1-(2-methylpropyl)-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(3-hydroxy-2-pyridinyl)-1-(2-methylpropyl)-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(3-hydroxy-2-pyridinyl)-1-(2-methylpropyl)-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide is CC(C)Cn1c2c(c(O)c(C(=O)Nc3ncccc3O)c1=O)CCCC2.
What is the InChIKey of 4-hydroxy-N-(3-hydroxy-2-pyridinyl)-1-(2-methylpropyl)-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is VGBMNVSPBFTZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-11(2)10-22-13-7-4-3-6-12(13)16(24)15(19(22)26)18(25)21-17-14(23)8-5-9-20-17/h5,8-9,11,23-24H,3-4,6-7,10H2,1-2H3,(H,20,21,25).
What are the key properties of 4-hydroxy-N-(3-hydroxy-2-pyridinyl)-1-(2-methylpropyl)-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide?
4-hydroxy-N-(3-hydroxy-2-pyridinyl)-1-(2-methylpropyl)-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-hydroxy-2-pyridinyl)-1-(2-methylpropyl)-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 54686950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).