3-ethyl-4-oxoquinazoline-2-carbonitrile

C11H9N3O — CID 10655605

IUPAC3-ethyl-4-oxoquinazoline-2-carbonitrile
SMILESCCn1c(C#N)nc2ccccc2c1=O
InChIInChI=1S/C11H9N3O/c1-2-14-10(7-12)13-9-6-4-3-5-8(9)11(14)15/h3-6H,2H2,1H3
InChIKeyMBCCEJNUZXUUBE-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.29
Rot. Bonds1

About 3-ethyl-4-oxoquinazoline-2-carbonitrile

3-ethyl-4-oxoquinazoline-2-carbonitrile (PubChem CID 10655605) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-ethyl-4-oxoquinazoline-2-carbonitrile.

Molecular Properties

Compound Name3-ethyl-4-oxoquinazoline-2-carbonitrile
PubChem CID10655605
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name3-ethyl-4-oxoquinazoline-2-carbonitrile
SMILESCCn1c(C#N)nc2ccccc2c1=O
InChIInChI=1S/C11H9N3O/c1-2-14-10(7-12)13-9-6-4-3-5-8(9)11(14)15/h3-6H,2H2,1H3
InChIKeyMBCCEJNUZXUUBE-UHFFFAOYSA-N
XLogP1.29
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(furan-2-ylmethyl)-4-oxoquinazoline-2-carbonitrile
CID 86081653
3-[(Z)-2-iodo-3-phenylprop-2-enyl]-4-oxoquinazoline-2-carbonitrile
CID 11429869
3-ethyl-2-phenylquinazolin-4-one
CID 12626608
[(1S)-1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-methylazanium
CID 6941009
3-ethyl-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one
CID 92589760
3-ethyl-2-[1-(propylamino)ethyl]quinazolin-4-one
CID 5203497
[(1R)-1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-propan-2-ylazanium
CID 6941034
3-ethyl-2-(2-phenylsulfanylacetyl)quinazolin-4-one
CID 23799960
3-ethyl-2-(naphthalen-1-ylmethylsulfanyl)quinazolin-4-one
CID 977444
3-(2-hydroxybutyl)-2-methylquinazolin-4-one
CID 154753235
3-ethyl-2-[(1S)-1-(propylamino)propyl]quinazolin-4-one
CID 7301405
3-ethyl-2-[(Z)-2-(3-methylphenyl)ethenyl]quinazolin-4-one
CID 7334704

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-oxoquinazoline-2-carbonitrile?
The IUPAC name of 3-ethyl-4-oxoquinazoline-2-carbonitrile (CID 10655605) is 3-ethyl-4-oxoquinazoline-2-carbonitrile.
What is the SMILES notation for 3-ethyl-4-oxoquinazoline-2-carbonitrile?
The canonical SMILES for 3-ethyl-4-oxoquinazoline-2-carbonitrile is CCn1c(C#N)nc2ccccc2c1=O.
What is the InChIKey of 3-ethyl-4-oxoquinazoline-2-carbonitrile?
The InChIKey is MBCCEJNUZXUUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c1-2-14-10(7-12)13-9-6-4-3-5-8(9)11(14)15/h3-6H,2H2,1H3.
What are the key properties of 3-ethyl-4-oxoquinazoline-2-carbonitrile?
3-ethyl-4-oxoquinazoline-2-carbonitrile has a molecular weight of 199.21 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-oxoquinazoline-2-carbonitrile is sourced from PubChem (CID 10655605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).