6,8-dichloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine

C15H8Cl2F3N3 — CID 86093336

IUPAC6,8-dichloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESFC(F)(F)c1ccc(Nc2ncnc3c(Cl)cc(Cl)cc23)cc1
InChIInChI=1S/C15H8Cl2F3N3/c16-9-5-11-13(12(17)6-9)21-7-22-14(11)23-10-3-1-8(2-4-10)15(18,19)20/h1-7H,(H,21,22,23)
InChIKeyQHAINYQHNQEKQC-UHFFFAOYSA-N
MW358.15 g/mol
LogP5.70
Rot. Bonds2

About 6,8-dichloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine

6,8-dichloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 86093336) has the molecular formula C15H8Cl2F3N3 and a molecular weight of 358.15 g/mol. Its IUPAC name is 6,8-dichloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,8-dichloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine
PubChem CID86093336
Molecular FormulaC15H8Cl2F3N3
Molecular Weight358.15 g/mol
Exact Mass357.00
IUPAC Name6,8-dichloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESFC(F)(F)c1ccc(Nc2ncnc3c(Cl)cc(Cl)cc23)cc1
InChIInChI=1S/C15H8Cl2F3N3/c16-9-5-11-13(12(17)6-9)21-7-22-14(11)23-10-3-1-8(2-4-10)15(18,19)20/h1-7H,(H,21,22,23)
InChIKeyQHAINYQHNQEKQC-UHFFFAOYSA-N
XLogP5.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.15
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,8-dichloro-N-methylquinazolin-4-amine
CID 60726169
6-chloro-5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 63735246
4-N-(5-chloro-2-methylphenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22547329
7-fluoro-N-[4-[4-(trifluoromethyl)phenyl]phenyl]quinazolin-4-amine
CID 155925326
2-N-(2,6-dichlorophenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24882956
4-N-(3,5-dimethylphenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22541066
9-(2-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]purin-6-amine
CID 11246262
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 22541228
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine
CID 22541112
1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 58949655
6-N-(4-bromophenyl)-4-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22541226
7-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine
CID 155924465

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine?
The IUPAC name of 6,8-dichloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine (CID 86093336) is 6,8-dichloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for 6,8-dichloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for 6,8-dichloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine is FC(F)(F)c1ccc(Nc2ncnc3c(Cl)cc(Cl)cc23)cc1.
What is the InChIKey of 6,8-dichloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine?
The InChIKey is QHAINYQHNQEKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2F3N3/c16-9-5-11-13(12(17)6-9)21-7-22-14(11)23-10-3-1-8(2-4-10)15(18,19)20/h1-7H,(H,21,22,23).
What are the key properties of 6,8-dichloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine?
6,8-dichloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine has a molecular weight of 358.15 g/mol, XLogP of 5.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 86093336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).