6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one

C16H14N2O3 — CID 135404718

IUPAC6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one
SMILESCOc1cc2c(=O)[nH]cnc2cc1OCc1ccccc1
InChIInChI=1S/C16H14N2O3/c1-20-14-7-12-13(17-10-18-16(12)19)8-15(14)21-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,17,18,19)
InChIKeyZCUFFSHMOAEEIL-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.51
Rot. Bonds4

About 6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one

6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one (PubChem CID 135404718) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one
PubChem CID135404718
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one
SMILESCOc1cc2c(=O)[nH]cnc2cc1OCc1ccccc1
InChIInChI=1S/C16H14N2O3/c1-20-14-7-12-13(17-10-18-16(12)19)8-15(14)21-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,17,18,19)
InChIKeyZCUFFSHMOAEEIL-UHFFFAOYSA-N
XLogP2.51
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one?
The IUPAC name of 6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one (CID 135404718) is 6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one.
What is the SMILES notation for 6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one?
The canonical SMILES for 6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one is COc1cc2c(=O)[nH]cnc2cc1OCc1ccccc1.
What is the InChIKey of 6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one?
The InChIKey is ZCUFFSHMOAEEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-20-14-7-12-13(17-10-18-16(12)19)8-15(14)21-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,17,18,19).
What are the key properties of 6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one?
6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one has a molecular weight of 282.30 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one is sourced from PubChem (CID 135404718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).