7-fluoro-N-[4-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-amine

C21H13F4N3 — CID 155925326

IUPAC7-fluoro-N-[4-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-amine
SMILESFc1ccc2c(Nc3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ncnc2c1
InChIInChI=1S/C21H13F4N3/c22-16-7-10-18-19(11-16)26-12-27-20(18)28-17-8-3-14(4-9-17)13-1-5-15(6-2-13)21(23,24)25/h1-12H,(H,26,27,28)
InChIKeyXHYCSUIQVPKAQQ-UHFFFAOYSA-N
MW383.35 g/mol
LogP6.20
Rot. Bonds3

About 7-fluoro-N-[4-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-amine

7-fluoro-N-[4-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-amine (PubChem CID 155925326) has the molecular formula C21H13F4N3 and a molecular weight of 383.35 g/mol. Its IUPAC name is 7-fluoro-N-[4-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name7-fluoro-N-[4-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-amine
PubChem CID155925326
Molecular FormulaC21H13F4N3
Molecular Weight383.35 g/mol
Exact Mass383.10
IUPAC Name7-fluoro-N-[4-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-amine
SMILESFc1ccc2c(Nc3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ncnc2c1
InChIInChI=1S/C21H13F4N3/c22-16-7-10-18-19(11-16)26-12-27-20(18)28-17-8-3-14(4-9-17)13-1-5-15(6-2-13)21(23,24)25/h1-12H,(H,26,27,28)
InChIKeyXHYCSUIQVPKAQQ-UHFFFAOYSA-N
XLogP6.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.35
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine
CID 155924465
2-[4-[4-(trifluoromethyl)anilino]quinazolin-7-yl]pyridine-3-carboxylic acid
CID 22030503
7-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 142682778
6,8-dichloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 86093336
4-N-(4-fluorophenyl)quinazoline-4,6-diamine
CID 64590257
4-chloro-7-(trifluoromethyl)quinazoline;N-(4-phenylmethoxyphenyl)-7-(trifluoromethyl)quinazolin-4-amine;hydrochloride
CID 160518388
4-N-(3,5-dimethylphenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22541066
6-N-(4-fluorophenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19148458
4-[4-[(4-fluorophenyl)methoxy]anilino]quinazolin-7-ol
CID 155525820
N-(4-tert-butylphenyl)quinazolin-4-amine
CID 11323396
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 22541228
7-nitro-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 5328200

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[4-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-amine?
The IUPAC name of 7-fluoro-N-[4-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-amine (CID 155925326) is 7-fluoro-N-[4-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-amine.
What is the SMILES notation for 7-fluoro-N-[4-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-amine?
The canonical SMILES for 7-fluoro-N-[4-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-amine is Fc1ccc2c(Nc3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ncnc2c1.
What is the InChIKey of 7-fluoro-N-[4-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-amine?
The InChIKey is XHYCSUIQVPKAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F4N3/c22-16-7-10-18-19(11-16)26-12-27-20(18)28-17-8-3-14(4-9-17)13-1-5-15(6-2-13)21(23,24)25/h1-12H,(H,26,27,28).
What are the key properties of 7-fluoro-N-[4-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-amine?
7-fluoro-N-[4-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-amine has a molecular weight of 383.35 g/mol, XLogP of 6.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[4-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-amine is sourced from PubChem (CID 155925326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).