2-(2-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one

C21H18N2O2 — CID 2867551

IUPAC2-(2-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(c2ccccc2OCc2ccccc2)Nc2ccccc21
InChIInChI=1S/C21H18N2O2/c24-21-16-10-4-6-12-18(16)22-20(23-21)17-11-5-7-13-19(17)25-14-15-8-2-1-3-9-15/h1-13,20,22H,14H2,(H,23,24)
InChIKeyVDPSMZHUXSLURS-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.12
Rot. Bonds4

About 2-(2-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one

2-(2-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 2867551) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-(2-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
PubChem CID2867551
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name2-(2-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(c2ccccc2OCc2ccccc2)Nc2ccccc21
InChIInChI=1S/C21H18N2O2/c24-21-16-10-4-6-12-18(16)22-20(23-21)17-11-5-7-13-19(17)25-14-15-8-2-1-3-9-15/h1-13,20,22H,14H2,(H,23,24)
InChIKeyVDPSMZHUXSLURS-UHFFFAOYSA-N
XLogP4.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 2-(2-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one (CID 2867551) is 2-(2-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 2-(2-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 2-(2-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one is O=C1NC(c2ccccc2OCc2ccccc2)Nc2ccccc21.
What is the InChIKey of 2-(2-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is VDPSMZHUXSLURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c24-21-16-10-4-6-12-18(16)22-20(23-21)17-11-5-7-13-19(17)25-14-15-8-2-1-3-9-15/h1-13,20,22H,14H2,(H,23,24).
What are the key properties of 2-(2-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
2-(2-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 330.39 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 2867551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).