4-hydroxy-1-methyl-2-oxo-7-pyridin-4-ylquinoline-3-carboxamide

C16H13N3O3 — CID 54688507

IUPAC4-hydroxy-1-methyl-2-oxo-7-pyridin-4-ylquinoline-3-carboxamide
SMILESCn1c(=O)c(C(N)=O)c(O)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C16H13N3O3/c1-19-12-8-10(9-4-6-18-7-5-9)2-3-11(12)14(20)13(15(17)21)16(19)22/h2-8,20H,1H3,(H2,17,21)
InChIKeyKGEYTYGVVOIBBI-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.40
Rot. Bonds2

About 4-hydroxy-1-methyl-2-oxo-7-pyridin-4-ylquinoline-3-carboxamide

4-hydroxy-1-methyl-2-oxo-7-pyridin-4-ylquinoline-3-carboxamide (PubChem CID 54688507) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-2-oxo-7-pyridin-4-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-methyl-2-oxo-7-pyridin-4-ylquinoline-3-carboxamide
PubChem CID54688507
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name4-hydroxy-1-methyl-2-oxo-7-pyridin-4-ylquinoline-3-carboxamide
SMILESCn1c(=O)c(C(N)=O)c(O)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C16H13N3O3/c1-19-12-8-10(9-4-6-18-7-5-9)2-3-11(12)14(20)13(15(17)21)16(19)22/h2-8,20H,1H3,(H2,17,21)
InChIKeyKGEYTYGVVOIBBI-UHFFFAOYSA-N
XLogP1.40
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-2-oxo-7-pyridin-4-ylquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-1-methyl-2-oxo-7-pyridin-4-ylquinoline-3-carboxamide (CID 54688507) is 4-hydroxy-1-methyl-2-oxo-7-pyridin-4-ylquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-methyl-2-oxo-7-pyridin-4-ylquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-methyl-2-oxo-7-pyridin-4-ylquinoline-3-carboxamide is Cn1c(=O)c(C(N)=O)c(O)c2ccc(-c3ccncc3)cc21.
What is the InChIKey of 4-hydroxy-1-methyl-2-oxo-7-pyridin-4-ylquinoline-3-carboxamide?
The InChIKey is KGEYTYGVVOIBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-19-12-8-10(9-4-6-18-7-5-9)2-3-11(12)14(20)13(15(17)21)16(19)22/h2-8,20H,1H3,(H2,17,21).
What are the key properties of 4-hydroxy-1-methyl-2-oxo-7-pyridin-4-ylquinoline-3-carboxamide?
4-hydroxy-1-methyl-2-oxo-7-pyridin-4-ylquinoline-3-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-2-oxo-7-pyridin-4-ylquinoline-3-carboxamide is sourced from PubChem (CID 54688507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).