2-(3-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one

C15H14N2O2 — CID 62009055

IUPAC2-(3-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1cccc(-c2ncc3c(n2)CCCC3=O)c1
InChIInChI=1S/C15H14N2O2/c1-19-11-5-2-4-10(8-11)15-16-9-12-13(17-15)6-3-7-14(12)18/h2,4-5,8-9H,3,6-7H2,1H3
InChIKeyJUUYMPJVSGBTOG-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.67
Rot. Bonds2

About 2-(3-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one

2-(3-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 62009055) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID62009055
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-(3-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1cccc(-c2ncc3c(n2)CCCC3=O)c1
InChIInChI=1S/C15H14N2O2/c1-19-11-5-2-4-10(8-11)15-16-9-12-13(17-15)6-3-7-14(12)18/h2,4-5,8-9H,3,6-7H2,1H3
InChIKeyJUUYMPJVSGBTOG-UHFFFAOYSA-N
XLogP2.67
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(3-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one (CID 62009055) is 2-(3-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(3-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(3-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one is COc1cccc(-c2ncc3c(n2)CCCC3=O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is JUUYMPJVSGBTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-19-11-5-2-4-10(8-11)15-16-9-12-13(17-15)6-3-7-14(12)18/h2,4-5,8-9H,3,6-7H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
2-(3-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 254.29 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 62009055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).