4-hydroxy-1-methyl-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide

C15H12N4O3 — CID 54678750

IUPAC4-hydroxy-1-methyl-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide
SMILESCn1c(=O)c(C(=O)Nc2ncccn2)c(O)c2ccccc21
InChIInChI=1S/C15H12N4O3/c1-19-10-6-3-2-5-9(10)12(20)11(14(19)22)13(21)18-15-16-7-4-8-17-15/h2-8,20H,1H3,(H,16,17,18,21)
InChIKeyZUFMARVSGCUMJI-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.29
Rot. Bonds2

About 4-hydroxy-1-methyl-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide

4-hydroxy-1-methyl-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide (PubChem CID 54678750) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-methyl-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide
PubChem CID54678750
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name4-hydroxy-1-methyl-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide
SMILESCn1c(=O)c(C(=O)Nc2ncccn2)c(O)c2ccccc21
InChIInChI=1S/C15H12N4O3/c1-19-10-6-3-2-5-9(10)12(20)11(14(19)22)13(21)18-15-16-7-4-8-17-15/h2-8,20H,1H3,(H,16,17,18,21)
InChIKeyZUFMARVSGCUMJI-UHFFFAOYSA-N
XLogP1.29
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-1-methyl-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide (CID 54678750) is 4-hydroxy-1-methyl-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-methyl-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-methyl-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide is Cn1c(=O)c(C(=O)Nc2ncccn2)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-1-methyl-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide?
The InChIKey is ZUFMARVSGCUMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c1-19-10-6-3-2-5-9(10)12(20)11(14(19)22)13(21)18-15-16-7-4-8-17-15/h2-8,20H,1H3,(H,16,17,18,21).
What are the key properties of 4-hydroxy-1-methyl-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide?
4-hydroxy-1-methyl-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide has a molecular weight of 296.29 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide is sourced from PubChem (CID 54678750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).