7-fluoro-5-[(4-methoxyphenyl)methoxy]-3H-quinazolin-4-one

C16H13FN2O3 — CID 139330431

IUPAC7-fluoro-5-[(4-methoxyphenyl)methoxy]-3H-quinazolin-4-one
SMILESCOc1ccc(COc2cc(F)cc3nc[nH]c(=O)c23)cc1
InChIInChI=1S/C16H13FN2O3/c1-21-12-4-2-10(3-5-12)8-22-14-7-11(17)6-13-15(14)16(20)19-9-18-13/h2-7,9H,8H2,1H3,(H,18,19,20)
InChIKeyDLSAVMAHADOTRA-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.65
Rot. Bonds4

About 7-fluoro-5-[(4-methoxyphenyl)methoxy]-3H-quinazolin-4-one

7-fluoro-5-[(4-methoxyphenyl)methoxy]-3H-quinazolin-4-one (PubChem CID 139330431) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is 7-fluoro-5-[(4-methoxyphenyl)methoxy]-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-5-[(4-methoxyphenyl)methoxy]-3H-quinazolin-4-one
PubChem CID139330431
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name7-fluoro-5-[(4-methoxyphenyl)methoxy]-3H-quinazolin-4-one
SMILESCOc1ccc(COc2cc(F)cc3nc[nH]c(=O)c23)cc1
InChIInChI=1S/C16H13FN2O3/c1-21-12-4-2-10(3-5-12)8-22-14-7-11(17)6-13-15(14)16(20)19-9-18-13/h2-7,9H,8H2,1H3,(H,18,19,20)
InChIKeyDLSAVMAHADOTRA-UHFFFAOYSA-N
XLogP2.65
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-5-(2-methoxyethoxy)-3H-quinazolin-4-one
CID 136951729
1-[2,4-difluoro-6-[(4-methoxyphenyl)methoxy]phenyl]-2-oxotriazolidin-2-ium-4-one;ethane
CID 169120023
5-amino-7-fluoro-3H-quinazolin-4-one
CID 171922315
6-methoxy-5-phenylmethoxy-3H-quinazolin-4-one
CID 135830914
4-fluoro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene
CID 112722723
5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline
CID 19627149
5-methoxy-3H-quinazolin-4-one;hydrochloride
CID 136504101
6-fluoro-8-methoxy-3H-quinazolin-4-one
CID 136677465
1-[4,5-difluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 71248787
ethane;7-phenylmethoxy-3H-quinazolin-4-one
CID 136656815
3-(hydroxymethyl)-6,7-bis[(4-methoxyphenyl)methoxy]-1H-cinnolin-4-one
CID 141366567
6-[(2,5-dimethoxyphenyl)methoxy]-3H-quinazolin-4-one
CID 135752751

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-[(4-methoxyphenyl)methoxy]-3H-quinazolin-4-one?
The IUPAC name of 7-fluoro-5-[(4-methoxyphenyl)methoxy]-3H-quinazolin-4-one (CID 139330431) is 7-fluoro-5-[(4-methoxyphenyl)methoxy]-3H-quinazolin-4-one.
What is the SMILES notation for 7-fluoro-5-[(4-methoxyphenyl)methoxy]-3H-quinazolin-4-one?
The canonical SMILES for 7-fluoro-5-[(4-methoxyphenyl)methoxy]-3H-quinazolin-4-one is COc1ccc(COc2cc(F)cc3nc[nH]c(=O)c23)cc1.
What is the InChIKey of 7-fluoro-5-[(4-methoxyphenyl)methoxy]-3H-quinazolin-4-one?
The InChIKey is DLSAVMAHADOTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c1-21-12-4-2-10(3-5-12)8-22-14-7-11(17)6-13-15(14)16(20)19-9-18-13/h2-7,9H,8H2,1H3,(H,18,19,20).
What are the key properties of 7-fluoro-5-[(4-methoxyphenyl)methoxy]-3H-quinazolin-4-one?
7-fluoro-5-[(4-methoxyphenyl)methoxy]-3H-quinazolin-4-one has a molecular weight of 300.29 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-[(4-methoxyphenyl)methoxy]-3H-quinazolin-4-one is sourced from PubChem (CID 139330431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).