N-(3-fluorophenyl)-N-methyl-2-phenylquinazolin-4-amine

C21H16FN3 — CID 155530897

IUPACN-(3-fluorophenyl)-N-methyl-2-phenylquinazolin-4-amine
SMILESCN(c1cccc(F)c1)c1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C21H16FN3/c1-25(17-11-7-10-16(22)14-17)21-18-12-5-6-13-19(18)23-20(24-21)15-8-3-2-4-9-15/h2-14H,1H3
InChIKeyQTFMREGMWNPCDH-UHFFFAOYSA-N
MW329.38 g/mol
LogP5.20
Rot. Bonds3

About N-(3-fluorophenyl)-N-methyl-2-phenylquinazolin-4-amine

N-(3-fluorophenyl)-N-methyl-2-phenylquinazolin-4-amine (PubChem CID 155530897) has the molecular formula C21H16FN3 and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N-methyl-2-phenylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N-methyl-2-phenylquinazolin-4-amine
PubChem CID155530897
Molecular FormulaC21H16FN3
Molecular Weight329.38 g/mol
Exact Mass329.13
IUPAC NameN-(3-fluorophenyl)-N-methyl-2-phenylquinazolin-4-amine
SMILESCN(c1cccc(F)c1)c1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C21H16FN3/c1-25(17-11-7-10-16(22)14-17)21-18-12-5-6-13-19(18)23-20(24-21)15-8-3-2-4-9-15/h2-14H,1H3
InChIKeyQTFMREGMWNPCDH-UHFFFAOYSA-N
XLogP5.20
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.38
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N-methyl-2-phenylquinazolin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-N-methyl-2-phenylquinazolin-4-amine (CID 155530897) is N-(3-fluorophenyl)-N-methyl-2-phenylquinazolin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-N-methyl-2-phenylquinazolin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-N-methyl-2-phenylquinazolin-4-amine is CN(c1cccc(F)c1)c1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-(3-fluorophenyl)-N-methyl-2-phenylquinazolin-4-amine?
The InChIKey is QTFMREGMWNPCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3/c1-25(17-11-7-10-16(22)14-17)21-18-12-5-6-13-19(18)23-20(24-21)15-8-3-2-4-9-15/h2-14H,1H3.
What are the key properties of N-(3-fluorophenyl)-N-methyl-2-phenylquinazolin-4-amine?
N-(3-fluorophenyl)-N-methyl-2-phenylquinazolin-4-amine has a molecular weight of 329.38 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N-methyl-2-phenylquinazolin-4-amine is sourced from PubChem (CID 155530897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).