6-methoxy-5-phenylmethoxy-3H-quinazolin-4-one

C16H14N2O3 — CID 135830914

IUPAC6-methoxy-5-phenylmethoxy-3H-quinazolin-4-one
SMILESCOc1ccc2nc[nH]c(=O)c2c1OCc1ccccc1
InChIInChI=1S/C16H14N2O3/c1-20-13-8-7-12-14(16(19)18-10-17-12)15(13)21-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,17,18,19)
InChIKeyGIHADOFXEZJQGX-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.51
Rot. Bonds4

About 6-methoxy-5-phenylmethoxy-3H-quinazolin-4-one

6-methoxy-5-phenylmethoxy-3H-quinazolin-4-one (PubChem CID 135830914) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 6-methoxy-5-phenylmethoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-methoxy-5-phenylmethoxy-3H-quinazolin-4-one
PubChem CID135830914
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name6-methoxy-5-phenylmethoxy-3H-quinazolin-4-one
SMILESCOc1ccc2nc[nH]c(=O)c2c1OCc1ccccc1
InChIInChI=1S/C16H14N2O3/c1-20-13-8-7-12-14(16(19)18-10-17-12)15(13)21-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,17,18,19)
InChIKeyGIHADOFXEZJQGX-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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Related Compounds

2,5,8-trimethoxy-1-phenylmethoxynaphthalene
CID 132576199
ethane;7-phenylmethoxy-3H-quinazolin-4-one
CID 136656815
4-methoxy-3-phenylmethoxy-2-prop-2-enylbenzaldehyde
CID 15574386
(4-oxo-6-phenylmethoxy-3H-quinazolin-7-yl) acetate
CID 135767194
1-(5-methoxy-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylmethanamine
CID 121230870
7-fluoro-5-[(4-methoxyphenyl)methoxy]-3H-quinazolin-4-one
CID 139330431
2H-pyrido[3,2-f]quinazolin-1-one
CID 135776062
6-methoxy-5-phenylmethoxy-2-pyridin-3-yl-1H-quinolin-4-one
CID 15675346
6-ethoxy-7-methoxy-3H-pyrimido[4,5-b]quinolin-4-one
CID 149158755
potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194
4-methoxy-2-methyl-3-phenylmethoxybenzoic acid
CID 141015234
7-methoxy-8-phenylmethoxyquinoline
CID 67057987

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-phenylmethoxy-3H-quinazolin-4-one?
The IUPAC name of 6-methoxy-5-phenylmethoxy-3H-quinazolin-4-one (CID 135830914) is 6-methoxy-5-phenylmethoxy-3H-quinazolin-4-one.
What is the SMILES notation for 6-methoxy-5-phenylmethoxy-3H-quinazolin-4-one?
The canonical SMILES for 6-methoxy-5-phenylmethoxy-3H-quinazolin-4-one is COc1ccc2nc[nH]c(=O)c2c1OCc1ccccc1.
What is the InChIKey of 6-methoxy-5-phenylmethoxy-3H-quinazolin-4-one?
The InChIKey is GIHADOFXEZJQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-20-13-8-7-12-14(16(19)18-10-17-12)15(13)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-5-phenylmethoxy-3H-quinazolin-4-one?
6-methoxy-5-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-5-phenylmethoxy-3H-quinazolin-4-one is sourced from PubChem (CID 135830914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).