6-bromo-2-chloro-N-(3-chloro-4-fluorophenyl)-8-methylquinazolin-4-amine

C15H9BrCl2FN3 — CID 137442753

IUPAC6-bromo-2-chloro-N-(3-chloro-4-fluorophenyl)-8-methylquinazolin-4-amine
SMILESCc1cc(Br)cc2c(Nc3ccc(F)c(Cl)c3)nc(Cl)nc12
InChIInChI=1S/C15H9BrCl2FN3/c1-7-4-8(16)5-10-13(7)21-15(18)22-14(10)20-9-2-3-12(19)11(17)6-9/h2-6H,1H3,(H,20,21,22)
InChIKeyGUPRFMZYVZPRJK-UHFFFAOYSA-N
MW401.07 g/mol
LogP5.89
Rot. Bonds2

About 6-bromo-2-chloro-N-(3-chloro-4-fluorophenyl)-8-methylquinazolin-4-amine

6-bromo-2-chloro-N-(3-chloro-4-fluorophenyl)-8-methylquinazolin-4-amine (PubChem CID 137442753) has the molecular formula C15H9BrCl2FN3 and a molecular weight of 401.07 g/mol. Its IUPAC name is 6-bromo-2-chloro-N-(3-chloro-4-fluorophenyl)-8-methylquinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-2-chloro-N-(3-chloro-4-fluorophenyl)-8-methylquinazolin-4-amine
PubChem CID137442753
Molecular FormulaC15H9BrCl2FN3
Molecular Weight401.07 g/mol
Exact Mass398.93
IUPAC Name6-bromo-2-chloro-N-(3-chloro-4-fluorophenyl)-8-methylquinazolin-4-amine
SMILESCc1cc(Br)cc2c(Nc3ccc(F)c(Cl)c3)nc(Cl)nc12
InChIInChI=1S/C15H9BrCl2FN3/c1-7-4-8(16)5-10-13(7)21-15(18)22-14(10)20-9-2-3-12(19)11(17)6-9/h2-6H,1H3,(H,20,21,22)
InChIKeyGUPRFMZYVZPRJK-UHFFFAOYSA-N
XLogP5.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.07
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(3-chloro-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 82066013
2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 79632577
N-(3-chloro-4-fluorophenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430592
2-chloro-N-(3,4-dichlorophenyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 152652659
N-(3-chloro-4-fluorophenyl)-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine
CID 35475136
2-chloro-N-(3-chloro-4-fluorophenyl)-7H-purin-6-amine
CID 113442631
5-bromo-2-N-(3-chloro-4-fluorophenyl)pyridine-2,3-diamine
CID 61227501
2-chloro-N-(3-chloro-4-fluorophenyl)-6-[3-(2,2-dimethylhydrazinyl)prop-1-ynyl]quinazolin-4-amine
CID 151745087
N-(3-chloro-4-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine
CID 21003580
2-chloro-6-fluoro-8-methyl-N-propan-2-ylquinazolin-4-amine
CID 114693172
N-(3-chloro-4-fluorophenyl)-6-methylpyrimido[5,4-d]pyrimidin-4-amine
CID 19709246
N-(3-chloro-4-fluorophenyl)-2,6-dimethylaniline
CID 82536210

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloro-N-(3-chloro-4-fluorophenyl)-8-methylquinazolin-4-amine?
The IUPAC name of 6-bromo-2-chloro-N-(3-chloro-4-fluorophenyl)-8-methylquinazolin-4-amine (CID 137442753) is 6-bromo-2-chloro-N-(3-chloro-4-fluorophenyl)-8-methylquinazolin-4-amine.
What is the SMILES notation for 6-bromo-2-chloro-N-(3-chloro-4-fluorophenyl)-8-methylquinazolin-4-amine?
The canonical SMILES for 6-bromo-2-chloro-N-(3-chloro-4-fluorophenyl)-8-methylquinazolin-4-amine is Cc1cc(Br)cc2c(Nc3ccc(F)c(Cl)c3)nc(Cl)nc12.
What is the InChIKey of 6-bromo-2-chloro-N-(3-chloro-4-fluorophenyl)-8-methylquinazolin-4-amine?
The InChIKey is GUPRFMZYVZPRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrCl2FN3/c1-7-4-8(16)5-10-13(7)21-15(18)22-14(10)20-9-2-3-12(19)11(17)6-9/h2-6H,1H3,(H,20,21,22).
What are the key properties of 6-bromo-2-chloro-N-(3-chloro-4-fluorophenyl)-8-methylquinazolin-4-amine?
6-bromo-2-chloro-N-(3-chloro-4-fluorophenyl)-8-methylquinazolin-4-amine has a molecular weight of 401.07 g/mol, XLogP of 5.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloro-N-(3-chloro-4-fluorophenyl)-8-methylquinazolin-4-amine is sourced from PubChem (CID 137442753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).