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

C16H11BrClF2N3O — CID 135201644

IUPAC6-bromo-N-(3-chloro-2-methylphenyl)-7-(difluoromethoxy)quinazolin-4-amine
SMILESCc1c(Cl)cccc1Nc1ncnc2cc(OC(F)F)c(Br)cc12
InChIInChI=1S/C16H11BrClF2N3O/c1-8-11(18)3-2-4-12(8)23-15-9-5-10(17)14(24-16(19)20)6-13(9)21-7-22-15/h2-7,16H,1H3,(H,21,22,23)
InChIKeyQTJYBUJECDKHPZ-UHFFFAOYSA-N
MW414.64 g/mol
LogP5.70
Rot. Bonds4

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

6-bromo-N-(3-chloro-2-methylphenyl)-7-(difluoromethoxy)quinazolin-4-amine (PubChem CID 135201644) has the molecular formula C16H11BrClF2N3O and a molecular weight of 414.64 g/mol. Its IUPAC name is 6-bromo-N-(3-chloro-2-methylphenyl)-7-(difluoromethoxy)quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(3-chloro-2-methylphenyl)-7-(difluoromethoxy)quinazolin-4-amine
PubChem CID135201644
Molecular FormulaC16H11BrClF2N3O
Molecular Weight414.64 g/mol
Exact Mass412.97
IUPAC Name6-bromo-N-(3-chloro-2-methylphenyl)-7-(difluoromethoxy)quinazolin-4-amine
SMILESCc1c(Cl)cccc1Nc1ncnc2cc(OC(F)F)c(Br)cc12
InChIInChI=1S/C16H11BrClF2N3O/c1-8-11(18)3-2-4-12(8)23-15-9-5-10(17)14(24-16(19)20)6-13(9)21-7-22-15/h2-7,16H,1H3,(H,21,22,23)
InChIKeyQTJYBUJECDKHPZ-UHFFFAOYSA-N
XLogP5.70
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.64
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-(3-chloro-2-fluorophenyl)-7-(difluoromethoxy)quinazolin-4-amine
CID 146246322
N-(3-chloro-2-methylphenyl)-6-fluoroquinazolin-4-amine
CID 110434586
6-bromo-4-(3-methoxy-2-methylanilino)quinazolin-7-ol
CID 137291069
6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 146246329
4-N-(3-chloro-2-fluorophenyl)-7-[2-(difluoromethoxy)ethoxy]-6-N-methoxyquinazoline-4,6-diamine
CID 145347225
(2R,4S)-4-[4-(3-chloro-2-methylanilino)-7-methoxyquinazolin-6-yl]oxy-N,N,1-trimethylpyrrolidine-2-carboxamide
CID 69452383
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-3-chloro-2-methylaniline
CID 43758567
N-(3-chloro-2-fluorophenyl)-6-(chloromethyl)-7-methoxyquinazolin-4-amine;ethane
CID 143086548
N-(3-bromo-2-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine
CID 107636954
7-[4-(3-chloro-2-methylanilino)-7-methoxyquinazolin-6-yl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one
CID 135201721
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[(propan-2-ylamino)methyl]quinazolin-4-amine
CID 69047474
2-N-(3-chloro-2-methylphenyl)-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine
CID 63593804

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-chloro-2-methylphenyl)-7-(difluoromethoxy)quinazolin-4-amine?
The IUPAC name of 6-bromo-N-(3-chloro-2-methylphenyl)-7-(difluoromethoxy)quinazolin-4-amine (CID 135201644) is 6-bromo-N-(3-chloro-2-methylphenyl)-7-(difluoromethoxy)quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-(3-chloro-2-methylphenyl)-7-(difluoromethoxy)quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-(3-chloro-2-methylphenyl)-7-(difluoromethoxy)quinazolin-4-amine is Cc1c(Cl)cccc1Nc1ncnc2cc(OC(F)F)c(Br)cc12.
What is the InChIKey of 6-bromo-N-(3-chloro-2-methylphenyl)-7-(difluoromethoxy)quinazolin-4-amine?
The InChIKey is QTJYBUJECDKHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClF2N3O/c1-8-11(18)3-2-4-12(8)23-15-9-5-10(17)14(24-16(19)20)6-13(9)21-7-22-15/h2-7,16H,1H3,(H,21,22,23).
What are the key properties of 6-bromo-N-(3-chloro-2-methylphenyl)-7-(difluoromethoxy)quinazolin-4-amine?
6-bromo-N-(3-chloro-2-methylphenyl)-7-(difluoromethoxy)quinazolin-4-amine has a molecular weight of 414.64 g/mol, XLogP of 5.70, 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-methylphenyl)-7-(difluoromethoxy)quinazolin-4-amine is sourced from PubChem (CID 135201644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).