6-bromo-N-(3-chloro-2-fluorophenyl)-7-(difluoromethoxy)quinazolin-4-amine

C15H8BrClF3N3O — CID 146246322

IUPAC6-bromo-N-(3-chloro-2-fluorophenyl)-7-(difluoromethoxy)quinazolin-4-amine
SMILESFc1c(Cl)cccc1Nc1ncnc2cc(OC(F)F)c(Br)cc12
InChIInChI=1S/C15H8BrClF3N3O/c16-8-4-7-11(5-12(8)24-15(19)20)21-6-22-14(7)23-10-3-1-2-9(17)13(10)18/h1-6,15H,(H,21,22,23)
InChIKeyUCZCOORXMMZKSD-UHFFFAOYSA-N
MW418.60 g/mol
LogP5.53
Rot. Bonds4

About 6-bromo-N-(3-chloro-2-fluorophenyl)-7-(difluoromethoxy)quinazolin-4-amine

6-bromo-N-(3-chloro-2-fluorophenyl)-7-(difluoromethoxy)quinazolin-4-amine (PubChem CID 146246322) has the molecular formula C15H8BrClF3N3O and a molecular weight of 418.60 g/mol. Its IUPAC name is 6-bromo-N-(3-chloro-2-fluorophenyl)-7-(difluoromethoxy)quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(3-chloro-2-fluorophenyl)-7-(difluoromethoxy)quinazolin-4-amine
PubChem CID146246322
Molecular FormulaC15H8BrClF3N3O
Molecular Weight418.60 g/mol
Exact Mass416.95
IUPAC Name6-bromo-N-(3-chloro-2-fluorophenyl)-7-(difluoromethoxy)quinazolin-4-amine
SMILESFc1c(Cl)cccc1Nc1ncnc2cc(OC(F)F)c(Br)cc12
InChIInChI=1S/C15H8BrClF3N3O/c16-8-4-7-11(5-12(8)24-15(19)20)21-6-22-14(7)23-10-3-1-2-9(17)13(10)18/h1-6,15H,(H,21,22,23)
InChIKeyUCZCOORXMMZKSD-UHFFFAOYSA-N
XLogP5.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.60
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-(3-chloro-2-methylphenyl)-7-(difluoromethoxy)quinazolin-4-amine
CID 135201644
4-N-(3-chloro-2-fluorophenyl)-7-[2-(difluoromethoxy)ethoxy]-6-N-methoxyquinazoline-4,6-diamine
CID 145347225
N-(3-chloro-2-fluorophenyl)-6-(chloromethyl)-7-methoxyquinazolin-4-amine;ethane
CID 143086548
N-(3-chloro-2-fluorophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine
CID 166538319
N-[4-(3-chloro-2-fluoroanilino)-7-fluoroquinazolin-6-yl]hydroxylamine
CID 130227832
N-(3-chloro-2-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 138513770
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-(methylaminomethyl)quinazolin-4-amine
CID 141120249
N-(3-chloro-2-fluorophenyl)-6,7-bis(oxolan-3-yloxy)quinazolin-4-amine
CID 24743956
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[(propan-2-ylamino)methyl]quinazolin-4-amine
CID 69047474
4-N-(3-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazoline-4,6-diamine
CID 142692093
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[1-[methyl(propan-2-yl)amino]propan-2-yloxy]quinazolin-4-amine
CID 143021800
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-octan-4-yloxyquinazolin-4-amine
CID 143282534

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-chloro-2-fluorophenyl)-7-(difluoromethoxy)quinazolin-4-amine?
The IUPAC name of 6-bromo-N-(3-chloro-2-fluorophenyl)-7-(difluoromethoxy)quinazolin-4-amine (CID 146246322) is 6-bromo-N-(3-chloro-2-fluorophenyl)-7-(difluoromethoxy)quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-(3-chloro-2-fluorophenyl)-7-(difluoromethoxy)quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-(3-chloro-2-fluorophenyl)-7-(difluoromethoxy)quinazolin-4-amine is Fc1c(Cl)cccc1Nc1ncnc2cc(OC(F)F)c(Br)cc12.
What is the InChIKey of 6-bromo-N-(3-chloro-2-fluorophenyl)-7-(difluoromethoxy)quinazolin-4-amine?
The InChIKey is UCZCOORXMMZKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrClF3N3O/c16-8-4-7-11(5-12(8)24-15(19)20)21-6-22-14(7)23-10-3-1-2-9(17)13(10)18/h1-6,15H,(H,21,22,23).
What are the key properties of 6-bromo-N-(3-chloro-2-fluorophenyl)-7-(difluoromethoxy)quinazolin-4-amine?
6-bromo-N-(3-chloro-2-fluorophenyl)-7-(difluoromethoxy)quinazolin-4-amine has a molecular weight of 418.60 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-chloro-2-fluorophenyl)-7-(difluoromethoxy)quinazolin-4-amine is sourced from PubChem (CID 146246322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).