1-methyl-2,4-dioxoquinazoline-6-carbonitrile

C10H7N3O2 — CID 141120562

IUPAC1-methyl-2,4-dioxoquinazoline-6-carbonitrile
SMILESCn1c(=O)[nH]c(=O)c2cc(C#N)ccc21
InChIInChI=1S/C10H7N3O2/c1-13-8-3-2-6(5-11)4-7(8)9(14)12-10(13)15/h2-4H,1H3,(H,12,14,15)
InChIKeyFOQAPSMYJSJFMZ-UHFFFAOYSA-N
MW201.18 g/mol
LogP0.10
Rot. Bonds

About 1-methyl-2,4-dioxoquinazoline-6-carbonitrile

1-methyl-2,4-dioxoquinazoline-6-carbonitrile (PubChem CID 141120562) has the molecular formula C10H7N3O2 and a molecular weight of 201.18 g/mol. Its IUPAC name is 1-methyl-2,4-dioxoquinazoline-6-carbonitrile.

Molecular Properties

Compound Name1-methyl-2,4-dioxoquinazoline-6-carbonitrile
PubChem CID141120562
Molecular FormulaC10H7N3O2
Molecular Weight201.18 g/mol
Exact Mass201.05
IUPAC Name1-methyl-2,4-dioxoquinazoline-6-carbonitrile
SMILESCn1c(=O)[nH]c(=O)c2cc(C#N)ccc21
InChIInChI=1S/C10H7N3O2/c1-13-8-3-2-6(5-11)4-7(8)9(14)12-10(13)15/h2-4H,1H3,(H,12,14,15)
InChIKeyFOQAPSMYJSJFMZ-UHFFFAOYSA-N
XLogP0.10
TPSA78.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-methylcarbazole-1,6-dicarbonitrile
CID 122501071
N-methyl-N-[(1-methyl-2,4-dioxoquinazolin-6-yl)methyl]formamide
CID 141208887
1-(2-methylpropyl)-2-oxo-3H-benzimidazole-5-carbonitrile
CID 65040569
1-(4-cyano-2-methoxyphenyl)-2,4-dioxopyrimidine-5-carbonitrile
CID 104850150
2-[(6-cyano-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid
CID 59340046
5-methyl-6-oxo-12-phenylindolo[1,2-c]quinazoline-10-carbonitrile
CID 132537975
1-methylthieno[3,4-d]pyrimidine-2,4-dione
CID 142054366
ethane;2-ethyl-4-oxo-3H-quinazoline-6-carbonitrile
CID 144970383
3-oxo-1-propan-2-yl-2,1-benzoxazole-5-carbonitrile
CID 105454184
5-cyano-2-oxo-3H-benzimidazole-1-carboxylic acid
CID 68867632
9-fluoro-6-oxo-8-propan-2-yl-5H-phenanthridine-3-carbonitrile
CID 178050450
1-methyl-2,4-dioxo-N-(4-phenylphenyl)quinazoline-6-sulfonamide
CID 177374477

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,4-dioxoquinazoline-6-carbonitrile?
The IUPAC name of 1-methyl-2,4-dioxoquinazoline-6-carbonitrile (CID 141120562) is 1-methyl-2,4-dioxoquinazoline-6-carbonitrile.
What is the SMILES notation for 1-methyl-2,4-dioxoquinazoline-6-carbonitrile?
The canonical SMILES for 1-methyl-2,4-dioxoquinazoline-6-carbonitrile is Cn1c(=O)[nH]c(=O)c2cc(C#N)ccc21.
What is the InChIKey of 1-methyl-2,4-dioxoquinazoline-6-carbonitrile?
The InChIKey is FOQAPSMYJSJFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O2/c1-13-8-3-2-6(5-11)4-7(8)9(14)12-10(13)15/h2-4H,1H3,(H,12,14,15).
What are the key properties of 1-methyl-2,4-dioxoquinazoline-6-carbonitrile?
1-methyl-2,4-dioxoquinazoline-6-carbonitrile has a molecular weight of 201.18 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,4-dioxoquinazoline-6-carbonitrile is sourced from PubChem (CID 141120562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).