ethane;7-phenylmethoxy-3H-quinazolin-4-one

C17H18N2O2 — CID 136656815

IUPACethane;7-phenylmethoxy-3H-quinazolin-4-one
SMILESCC.O=c1[nH]cnc2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C15H12N2O2.C2H6/c18-15-13-7-6-12(8-14(13)16-10-17-15)19-9-11-4-2-1-3-5-11;1-2/h1-8,10H,9H2,(H,16,17,18);1-2H3
InChIKeyQFBYOOHICQWIGB-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.53
Rot. Bonds3

About ethane;7-phenylmethoxy-3H-quinazolin-4-one

ethane;7-phenylmethoxy-3H-quinazolin-4-one (PubChem CID 136656815) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethane;7-phenylmethoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Nameethane;7-phenylmethoxy-3H-quinazolin-4-one
PubChem CID136656815
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Nameethane;7-phenylmethoxy-3H-quinazolin-4-one
SMILESCC.O=c1[nH]cnc2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C15H12N2O2.C2H6/c18-15-13-7-6-12(8-14(13)16-10-17-15)19-9-11-4-2-1-3-5-11;1-2/h1-8,10H,9H2,(H,16,17,18);1-2H3
InChIKeyQFBYOOHICQWIGB-UHFFFAOYSA-N
XLogP3.53
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-oxo-6-phenylmethoxy-3H-quinazolin-7-yl) acetate
CID 135767194
ethane;7-methyl-3H-quinazolin-4-one
CID 143636831
6-methoxy-5-phenylmethoxy-3H-quinazolin-4-one
CID 135830914
5-amino-4-(3-phenylmethoxyphenoxy)-1H-pyrimidin-6-one
CID 146290943
6-(4-methylbenzoyl)-8-phenylmethoxy-3H-quinazolin-4-one
CID 136608430
3,4-dihydroxy-7-phenylmethoxy-1H-quinolin-2-one
CID 139717983
3-methyl-5-(4-phenylmethoxyphenyl)-1H-pyridin-2-one
CID 169490402
methane;3H-quinazolin-4-one
CID 143348425
dimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate
CID 10991740
6-[(2,5-dimethoxyphenyl)methoxy]-3H-quinazolin-4-one
CID 135752751
7-(2,2-difluoroethyl)-3H-quinazolin-4-one
CID 155734124
7-phenylmethoxy-4-pyridin-4-ylquinazoline
CID 69163719

Frequently Asked Questions

What is the IUPAC name of ethane;7-phenylmethoxy-3H-quinazolin-4-one?
The IUPAC name of ethane;7-phenylmethoxy-3H-quinazolin-4-one (CID 136656815) is ethane;7-phenylmethoxy-3H-quinazolin-4-one.
What is the SMILES notation for ethane;7-phenylmethoxy-3H-quinazolin-4-one?
The canonical SMILES for ethane;7-phenylmethoxy-3H-quinazolin-4-one is CC.O=c1[nH]cnc2cc(OCc3ccccc3)ccc12.
What is the InChIKey of ethane;7-phenylmethoxy-3H-quinazolin-4-one?
The InChIKey is QFBYOOHICQWIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2.C2H6/c18-15-13-7-6-12(8-14(13)16-10-17-15)19-9-11-4-2-1-3-5-11;1-2/h1-8,10H,9H2,(H,16,17,18);1-2H3.
What are the key properties of ethane;7-phenylmethoxy-3H-quinazolin-4-one?
ethane;7-phenylmethoxy-3H-quinazolin-4-one has a molecular weight of 282.34 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-phenylmethoxy-3H-quinazolin-4-one is sourced from PubChem (CID 136656815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).