1-cyclohexa-1,3-dien-1-yl-2-methylquinazolin-4-one

C15H14N2O — CID 53440912

IUPAC1-cyclohexa-1,3-dien-1-yl-2-methylquinazolin-4-one
SMILESCc1nc(=O)c2ccccc2n1C1=CC=CCC1
InChIInChI=1S/C15H14N2O/c1-11-16-15(18)13-9-5-6-10-14(13)17(11)12-7-3-2-4-8-12/h2-3,5-7,9-10H,4,8H2,1H3
InChIKeyMVVXWYUIFXKJOM-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.90
Rot. Bonds1

About 1-cyclohexa-1,3-dien-1-yl-2-methylquinazolin-4-one

1-cyclohexa-1,3-dien-1-yl-2-methylquinazolin-4-one (PubChem CID 53440912) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-2-methylquinazolin-4-one.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-2-methylquinazolin-4-one
PubChem CID53440912
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name1-cyclohexa-1,3-dien-1-yl-2-methylquinazolin-4-one
SMILESCc1nc(=O)c2ccccc2n1C1=CC=CCC1
InChIInChI=1S/C15H14N2O/c1-11-16-15(18)13-9-5-6-10-14(13)17(11)12-7-3-2-4-8-12/h2-3,5-7,9-10H,4,8H2,1H3
InChIKeyMVVXWYUIFXKJOM-UHFFFAOYSA-N
XLogP2.90
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-yl-2-methylquinazolin-4-one?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-2-methylquinazolin-4-one (CID 53440912) is 1-cyclohexa-1,3-dien-1-yl-2-methylquinazolin-4-one.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-2-methylquinazolin-4-one?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-2-methylquinazolin-4-one is Cc1nc(=O)c2ccccc2n1C1=CC=CCC1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-2-methylquinazolin-4-one?
The InChIKey is MVVXWYUIFXKJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-11-16-15(18)13-9-5-6-10-14(13)17(11)12-7-3-2-4-8-12/h2-3,5-7,9-10H,4,8H2,1H3.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-2-methylquinazolin-4-one?
1-cyclohexa-1,3-dien-1-yl-2-methylquinazolin-4-one has a molecular weight of 238.29 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yl-2-methylquinazolin-4-one is sourced from PubChem (CID 53440912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).