N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloroquinazolin-4-amine

C15H10BrClFN3 — CID 107593343

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)-2-chloroquinazolin-4-amine
SMILESCc1cc(F)c(Br)cc1Nc1nc(Cl)nc2ccccc12
InChIInChI=1S/C15H10BrClFN3/c1-8-6-11(18)10(16)7-13(8)19-14-9-4-2-3-5-12(9)20-15(17)21-14/h2-7H,1H3,(H,19,20,21)
InChIKeyMCZLSZIHFYSVOI-UHFFFAOYSA-N
MW366.62 g/mol
LogP5.24
Rot. Bonds2

About N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloroquinazolin-4-amine

N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloroquinazolin-4-amine (PubChem CID 107593343) has the molecular formula C15H10BrClFN3 and a molecular weight of 366.62 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloroquinazolin-4-amine.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)-2-chloroquinazolin-4-amine
PubChem CID107593343
Molecular FormulaC15H10BrClFN3
Molecular Weight366.62 g/mol
Exact Mass364.97
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)-2-chloroquinazolin-4-amine
SMILESCc1cc(F)c(Br)cc1Nc1nc(Cl)nc2ccccc12
InChIInChI=1S/C15H10BrClFN3/c1-8-6-11(18)10(16)7-13(8)19-14-9-4-2-3-5-12(9)20-15(17)21-14/h2-7H,1H3,(H,19,20,21)
InChIKeyMCZLSZIHFYSVOI-UHFFFAOYSA-N
XLogP5.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.62
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyridine-2,3-diamine
CID 107591031
N-(2-bromo-6-fluorophenyl)-2-chloroquinazolin-4-amine
CID 107602343
N-(5-bromo-2-chlorophenyl)-2-chloroquinazolin-4-amine
CID 63548575
2-chloro-N-(2,4-dichlorophenyl)quinazolin-4-amine
CID 22692895
2-chloro-N-(3,5-difluorophenyl)quinazolin-4-amine
CID 62477687
N-(4-bromo-2-ethylphenyl)-2-chloroquinazolin-4-amine
CID 81289133
2-chloro-N-(3,5-dichloro-4-fluorophenyl)quinazolin-4-amine
CID 107576871
N-(2-bromo-5-nitrophenyl)-2-chloroquinazolin-4-amine
CID 22693180
2-chloro-N-(4-chlorophenyl)quinazolin-4-amine
CID 22692704
4-[(2-chloroquinazolin-4-yl)amino]phenol
CID 22692945
N-(5-bromo-2,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine;hydrochloride
CID 90353056
N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloro-1,3-thiazol-2-amine
CID 107593321

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloroquinazolin-4-amine?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloroquinazolin-4-amine (CID 107593343) is N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloroquinazolin-4-amine.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloroquinazolin-4-amine?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloroquinazolin-4-amine is Cc1cc(F)c(Br)cc1Nc1nc(Cl)nc2ccccc12.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloroquinazolin-4-amine?
The InChIKey is MCZLSZIHFYSVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClFN3/c1-8-6-11(18)10(16)7-13(8)19-14-9-4-2-3-5-12(9)20-15(17)21-14/h2-7H,1H3,(H,19,20,21).
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloroquinazolin-4-amine?
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloroquinazolin-4-amine has a molecular weight of 366.62 g/mol, XLogP of 5.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloroquinazolin-4-amine is sourced from PubChem (CID 107593343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).