2-(2-fluorophenyl)-N-(2-methoxyphenyl)quinazolin-4-amine

C21H16FN3O — CID 3693876

IUPAC2-(2-fluorophenyl)-N-(2-methoxyphenyl)quinazolin-4-amine
SMILESCOc1ccccc1Nc1nc(-c2ccccc2F)nc2ccccc12
InChIInChI=1S/C21H16FN3O/c1-26-19-13-7-6-12-18(19)24-21-15-9-3-5-11-17(15)23-20(25-21)14-8-2-4-10-16(14)22/h2-13H,1H3,(H,23,24,25)
InChIKeyKAXYTSWKQQBVFK-UHFFFAOYSA-N
MW345.38 g/mol
LogP5.19
Rot. Bonds4

About 2-(2-fluorophenyl)-N-(2-methoxyphenyl)quinazolin-4-amine

2-(2-fluorophenyl)-N-(2-methoxyphenyl)quinazolin-4-amine (PubChem CID 3693876) has the molecular formula C21H16FN3O and a molecular weight of 345.38 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(2-methoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-(2-methoxyphenyl)quinazolin-4-amine
PubChem CID3693876
Molecular FormulaC21H16FN3O
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC Name2-(2-fluorophenyl)-N-(2-methoxyphenyl)quinazolin-4-amine
SMILESCOc1ccccc1Nc1nc(-c2ccccc2F)nc2ccccc12
InChIInChI=1S/C21H16FN3O/c1-26-19-13-7-6-12-18(19)24-21-15-9-3-5-11-17(15)23-20(25-21)14-8-2-4-10-16(14)22/h2-13H,1H3,(H,23,24,25)
InChIKeyKAXYTSWKQQBVFK-UHFFFAOYSA-N
XLogP5.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.38
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-(2-methoxyphenyl)quinazolin-4-amine?
The IUPAC name of 2-(2-fluorophenyl)-N-(2-methoxyphenyl)quinazolin-4-amine (CID 3693876) is 2-(2-fluorophenyl)-N-(2-methoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-(2-methoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 2-(2-fluorophenyl)-N-(2-methoxyphenyl)quinazolin-4-amine is COc1ccccc1Nc1nc(-c2ccccc2F)nc2ccccc12.
What is the InChIKey of 2-(2-fluorophenyl)-N-(2-methoxyphenyl)quinazolin-4-amine?
The InChIKey is KAXYTSWKQQBVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O/c1-26-19-13-7-6-12-18(19)24-21-15-9-3-5-11-17(15)23-20(25-21)14-8-2-4-10-16(14)22/h2-13H,1H3,(H,23,24,25).
What are the key properties of 2-(2-fluorophenyl)-N-(2-methoxyphenyl)quinazolin-4-amine?
2-(2-fluorophenyl)-N-(2-methoxyphenyl)quinazolin-4-amine has a molecular weight of 345.38 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-(2-methoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 3693876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).