5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one

C15H13ClN2O2 — CID 164880760

IUPAC5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCOc1ccc(C2NC(=O)c3c(Cl)cccc3N2)cc1
InChIInChI=1S/C15H13ClN2O2/c1-20-10-7-5-9(6-8-10)14-17-12-4-2-3-11(16)13(12)15(19)18-14/h2-8,14,17H,1H3,(H,18,19)
InChIKeyBHOAHWBYHCGADZ-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.20
Rot. Bonds2

About 5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one

5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 164880760) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
PubChem CID164880760
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCOc1ccc(C2NC(=O)c3c(Cl)cccc3N2)cc1
InChIInChI=1S/C15H13ClN2O2/c1-20-10-7-5-9(6-8-10)14-17-12-4-2-3-11(16)13(12)15(19)18-14/h2-8,14,17H,1H3,(H,18,19)
InChIKeyBHOAHWBYHCGADZ-UHFFFAOYSA-N
XLogP3.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one (CID 164880760) is 5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one is COc1ccc(C2NC(=O)c3c(Cl)cccc3N2)cc1.
What is the InChIKey of 5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is BHOAHWBYHCGADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-20-10-7-5-9(6-8-10)14-17-12-4-2-3-11(16)13(12)15(19)18-14/h2-8,14,17H,1H3,(H,18,19).
What are the key properties of 5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 288.73 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 164880760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).