N-(4,6-dimethylpyrimidin-2-yl)-4-oxoquinolizine-3-carboxamide

C16H14N4O2 — CID 15632118

IUPACN-(4,6-dimethylpyrimidin-2-yl)-4-oxoquinolizine-3-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2ccc3ccccn3c2=O)n1
InChIInChI=1S/C16H14N4O2/c1-10-9-11(2)18-16(17-10)19-14(21)13-7-6-12-5-3-4-8-20(12)15(13)22/h3-9H,1-2H3,(H,17,18,19,21)
InChIKeyUEVCKGANXADXJF-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.96
Rot. Bonds2

About N-(4,6-dimethylpyrimidin-2-yl)-4-oxoquinolizine-3-carboxamide

N-(4,6-dimethylpyrimidin-2-yl)-4-oxoquinolizine-3-carboxamide (PubChem CID 15632118) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-4-oxoquinolizine-3-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-4-oxoquinolizine-3-carboxamide
PubChem CID15632118
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-4-oxoquinolizine-3-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2ccc3ccccn3c2=O)n1
InChIInChI=1S/C16H14N4O2/c1-10-9-11(2)18-16(17-10)19-14(21)13-7-6-12-5-3-4-8-20(12)15(13)22/h3-9H,1-2H3,(H,17,18,19,21)
InChIKeyUEVCKGANXADXJF-UHFFFAOYSA-N
XLogP1.96
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4-oxoquinolizine-3-carboxamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4-oxoquinolizine-3-carboxamide (CID 15632118) is N-(4,6-dimethylpyrimidin-2-yl)-4-oxoquinolizine-3-carboxamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-4-oxoquinolizine-3-carboxamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-4-oxoquinolizine-3-carboxamide is Cc1cc(C)nc(NC(=O)c2ccc3ccccn3c2=O)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-4-oxoquinolizine-3-carboxamide?
The InChIKey is UEVCKGANXADXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-10-9-11(2)18-16(17-10)19-14(21)13-7-6-12-5-3-4-8-20(12)15(13)22/h3-9H,1-2H3,(H,17,18,19,21).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-4-oxoquinolizine-3-carboxamide?
N-(4,6-dimethylpyrimidin-2-yl)-4-oxoquinolizine-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-4-oxoquinolizine-3-carboxamide is sourced from PubChem (CID 15632118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).