6-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinazolin-6-yl)-2-oxo-1H-pyridine-3-carbonitrile

C16H14N4O2 — CID 21297208

IUPAC6-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinazolin-6-yl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)cc1-c1ccc2c(c1)CNC(=O)N2C
InChIInChI=1S/C16H14N4O2/c1-9-13(6-11(7-17)15(21)19-9)10-3-4-14-12(5-10)8-18-16(22)20(14)2/h3-6H,8H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyCJYMKRKOTFGVFO-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.88
Rot. Bonds1

About 6-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinazolin-6-yl)-2-oxo-1H-pyridine-3-carbonitrile

6-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinazolin-6-yl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 21297208) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 6-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinazolin-6-yl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinazolin-6-yl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID21297208
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name6-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinazolin-6-yl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)cc1-c1ccc2c(c1)CNC(=O)N2C
InChIInChI=1S/C16H14N4O2/c1-9-13(6-11(7-17)15(21)19-9)10-3-4-14-12(5-10)8-18-16(22)20(14)2/h3-6H,8H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyCJYMKRKOTFGVFO-UHFFFAOYSA-N
XLogP1.88
TPSA88.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinazolin-6-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinazolin-6-yl)-2-oxo-1H-pyridine-3-carbonitrile (CID 21297208) is 6-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinazolin-6-yl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinazolin-6-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinazolin-6-yl)-2-oxo-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(C#N)cc1-c1ccc2c(c1)CNC(=O)N2C.
What is the InChIKey of 6-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinazolin-6-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is CJYMKRKOTFGVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-9-13(6-11(7-17)15(21)19-9)10-3-4-14-12(5-10)8-18-16(22)20(14)2/h3-6H,8H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of 6-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinazolin-6-yl)-2-oxo-1H-pyridine-3-carbonitrile?
6-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinazolin-6-yl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 294.31 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinazolin-6-yl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 21297208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).