4-hydroxy-N-(3-hydroxy-2-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide

C16H13N3O4 — CID 54676454

IUPAC4-hydroxy-N-(3-hydroxy-2-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCn1c(=O)c(C(=O)Nc2ncccc2O)c(O)c2ccccc21
InChIInChI=1S/C16H13N3O4/c1-19-10-6-3-2-5-9(10)13(21)12(16(19)23)15(22)18-14-11(20)7-4-8-17-14/h2-8,20-21H,1H3,(H,17,18,22)
InChIKeyPMPNTJQPLDGDLF-UHFFFAOYSA-N
MW311.30 g/mol
LogP1.60
Rot. Bonds2

About 4-hydroxy-N-(3-hydroxy-2-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide

4-hydroxy-N-(3-hydroxy-2-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide (PubChem CID 54676454) has the molecular formula C16H13N3O4 and a molecular weight of 311.30 g/mol. Its IUPAC name is 4-hydroxy-N-(3-hydroxy-2-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(3-hydroxy-2-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide
PubChem CID54676454
Molecular FormulaC16H13N3O4
Molecular Weight311.30 g/mol
Exact Mass311.09
IUPAC Name4-hydroxy-N-(3-hydroxy-2-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCn1c(=O)c(C(=O)Nc2ncccc2O)c(O)c2ccccc21
InChIInChI=1S/C16H13N3O4/c1-19-10-6-3-2-5-9(10)13(21)12(16(19)23)15(22)18-14-11(20)7-4-8-17-14/h2-8,20-21H,1H3,(H,17,18,22)
InChIKeyPMPNTJQPLDGDLF-UHFFFAOYSA-N
XLogP1.60
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 51.60
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-methyl-2-oxoquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(3-hydroxy-2-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide (CID 54676454) is 4-hydroxy-N-(3-hydroxy-2-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(3-hydroxy-2-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(3-hydroxy-2-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide is Cn1c(=O)c(C(=O)Nc2ncccc2O)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-N-(3-hydroxy-2-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide?
The InChIKey is PMPNTJQPLDGDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4/c1-19-10-6-3-2-5-9(10)13(21)12(16(19)23)15(22)18-14-11(20)7-4-8-17-14/h2-8,20-21H,1H3,(H,17,18,22).
What are the key properties of 4-hydroxy-N-(3-hydroxy-2-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide?
4-hydroxy-N-(3-hydroxy-2-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide has a molecular weight of 311.30 g/mol, XLogP of 1.60, 2 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-methyl-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54676454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).