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

C17H16N2O — CID 79971184

IUPAC2-(2-cyclopropylphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CCCc2nc(-c3ccccc3C3CC3)ncc21
InChIInChI=1S/C17H16N2O/c20-16-7-3-6-15-14(16)10-18-17(19-15)13-5-2-1-4-12(13)11-8-9-11/h1-2,4-5,10-11H,3,6-9H2
InChIKeyCZUCKTBZNVEODN-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.54
Rot. Bonds2

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

2-(2-cyclopropylphenyl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 79971184) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(2-cyclopropylphenyl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(2-cyclopropylphenyl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID79971184
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2-(2-cyclopropylphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CCCc2nc(-c3ccccc3C3CC3)ncc21
InChIInChI=1S/C17H16N2O/c20-16-7-3-6-15-14(16)10-18-17(19-15)13-5-2-1-4-12(13)11-8-9-11/h1-2,4-5,10-11H,3,6-9H2
InChIKeyCZUCKTBZNVEODN-UHFFFAOYSA-N
XLogP3.54
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(2-cyclopropylphenyl)-7,8-dihydro-6H-quinazolin-5-one (CID 79971184) is 2-(2-cyclopropylphenyl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(2-cyclopropylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(2-cyclopropylphenyl)-7,8-dihydro-6H-quinazolin-5-one is O=C1CCCc2nc(-c3ccccc3C3CC3)ncc21.
What is the InChIKey of 2-(2-cyclopropylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is CZUCKTBZNVEODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c20-16-7-3-6-15-14(16)10-18-17(19-15)13-5-2-1-4-12(13)11-8-9-11/h1-2,4-5,10-11H,3,6-9H2.
What are the key properties of 2-(2-cyclopropylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
2-(2-cyclopropylphenyl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 264.33 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylphenyl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 79971184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).