3-(3-fluoro-4-methoxyphenyl)-4H-quinazoline

C15H13FN2O — CID 91164821

IUPAC3-(3-fluoro-4-methoxyphenyl)-4H-quinazoline
SMILESCOc1ccc(N2C=Nc3ccccc3C2)cc1F
InChIInChI=1S/C15H13FN2O/c1-19-15-7-6-12(8-13(15)16)18-9-11-4-2-3-5-14(11)17-10-18/h2-8,10H,9H2,1H3
InChIKeyWZZIYGQTTGLYNE-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.51
Rot. Bonds2

About 3-(3-fluoro-4-methoxyphenyl)-4H-quinazoline

3-(3-fluoro-4-methoxyphenyl)-4H-quinazoline (PubChem CID 91164821) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-4H-quinazoline.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-4H-quinazoline
PubChem CID91164821
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-4H-quinazoline
SMILESCOc1ccc(N2C=Nc3ccccc3C2)cc1F
InChIInChI=1S/C15H13FN2O/c1-19-15-7-6-12(8-13(15)16)18-9-11-4-2-3-5-14(11)17-10-18/h2-8,10H,9H2,1H3
InChIKeyWZZIYGQTTGLYNE-UHFFFAOYSA-N
XLogP3.51
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)aziridine
CID 175746367
2-(3-fluoro-4-methoxyphenyl)-1,3-dihydroisoindol-5-amine
CID 43380983
1,3-dicyclopropyl-5-(3-fluoro-4-methoxyphenyl)-1,3,5-triazinane
CID 91402062
1-(3-fluoro-4-methoxyphenyl)pyrazol-3-amine
CID 102942591
4-(3-fluoro-4-methoxyphenyl)morpholine-3,5-dione
CID 58393490
2-(3-fluoro-4-methoxyphenyl)pyrazol-3-amine
CID 67052556
2-(3-chloro-4-methoxyphenyl)-1,3-dihydroisoindole
CID 894282
1-(3-fluoro-4-methoxyphenyl)-2,3-dimethylpiperidin-4-one
CID 79396922
4-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)triazole
CID 131702510
1-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrrolidine
CID 168514944
1-(3-fluoro-4-methoxyphenyl)piperidin-2-one
CID 142754617
(3R)-1-(3-fluoro-4-methoxyphenyl)-3-methylpiperazine
CID 67332275

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-4H-quinazoline?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-4H-quinazoline (CID 91164821) is 3-(3-fluoro-4-methoxyphenyl)-4H-quinazoline.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-4H-quinazoline?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-4H-quinazoline is COc1ccc(N2C=Nc3ccccc3C2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-4H-quinazoline?
The InChIKey is WZZIYGQTTGLYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-19-15-7-6-12(8-13(15)16)18-9-11-4-2-3-5-14(11)17-10-18/h2-8,10H,9H2,1H3.
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-4H-quinazoline?
3-(3-fluoro-4-methoxyphenyl)-4H-quinazoline has a molecular weight of 256.28 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-4H-quinazoline is sourced from PubChem (CID 91164821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).