2-(fluoromethyl)-N-phenylquinazolin-4-amine

C15H12FN3 — CID 67336350

IUPAC2-(fluoromethyl)-N-phenylquinazolin-4-amine
SMILESFCc1nc(Nc2ccccc2)c2ccccc2n1
InChIInChI=1S/C15H12FN3/c16-10-14-18-13-9-5-4-8-12(13)15(19-14)17-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18,19)
InChIKeyLSKPNPOAEVGRFF-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.84
Rot. Bonds3

About 2-(fluoromethyl)-N-phenylquinazolin-4-amine

2-(fluoromethyl)-N-phenylquinazolin-4-amine (PubChem CID 67336350) has the molecular formula C15H12FN3 and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-(fluoromethyl)-N-phenylquinazolin-4-amine.

Molecular Properties

Compound Name2-(fluoromethyl)-N-phenylquinazolin-4-amine
PubChem CID67336350
Molecular FormulaC15H12FN3
Molecular Weight253.28 g/mol
Exact Mass253.10
IUPAC Name2-(fluoromethyl)-N-phenylquinazolin-4-amine
SMILESFCc1nc(Nc2ccccc2)c2ccccc2n1
InChIInChI=1S/C15H12FN3/c16-10-14-18-13-9-5-4-8-12(13)15(19-14)17-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18,19)
InChIKeyLSKPNPOAEVGRFF-UHFFFAOYSA-N
XLogP3.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-anilinoquinazolin-2-yl)disulfanyl]-N-phenylquinazolin-4-amine
CID 12994963
N-(4-methoxyphenyl)-2-propylquinazolin-4-amine
CID 10756141
2-(aminomethyl)-N-(3-bromophenyl)quinazolin-4-amine
CID 84608604
2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720007
4-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]phenol
CID 21004213
N-(4-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 32677860
N-(4-fluorophenyl)-2-hydrazinylquinazolin-4-amine
CID 80928190
N-(4-anilinoquinazolin-2-yl)acetamide
CID 69107194
2-N-(4-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720832
2-chloro-N-(4-chlorophenyl)quinazolin-4-amine
CID 22692704
3-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]phenol;hydrochloride
CID 20982605
4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]benzoic acid;hydrochloride
CID 20982609

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-N-phenylquinazolin-4-amine?
The IUPAC name of 2-(fluoromethyl)-N-phenylquinazolin-4-amine (CID 67336350) is 2-(fluoromethyl)-N-phenylquinazolin-4-amine.
What is the SMILES notation for 2-(fluoromethyl)-N-phenylquinazolin-4-amine?
The canonical SMILES for 2-(fluoromethyl)-N-phenylquinazolin-4-amine is FCc1nc(Nc2ccccc2)c2ccccc2n1.
What is the InChIKey of 2-(fluoromethyl)-N-phenylquinazolin-4-amine?
The InChIKey is LSKPNPOAEVGRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3/c16-10-14-18-13-9-5-4-8-12(13)15(19-14)17-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18,19).
What are the key properties of 2-(fluoromethyl)-N-phenylquinazolin-4-amine?
2-(fluoromethyl)-N-phenylquinazolin-4-amine has a molecular weight of 253.28 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-N-phenylquinazolin-4-amine is sourced from PubChem (CID 67336350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).