N-(4-bromo-2-chlorophenyl)-6,7,8-trimethoxyquinazolin-4-amine

C17H15BrClN3O3 — CID 24767185

IUPACN-(4-bromo-2-chlorophenyl)-6,7,8-trimethoxyquinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(Br)cc3Cl)ncnc2c(OC)c1OC
InChIInChI=1S/C17H15BrClN3O3/c1-23-13-7-10-14(16(25-3)15(13)24-2)20-8-21-17(10)22-12-5-4-9(18)6-11(12)19/h4-8H,1-3H3,(H,20,21,22)
InChIKeyXLPDVSOEUVUCBT-UHFFFAOYSA-N
MW424.68 g/mol
LogP4.82
Rot. Bonds5

About N-(4-bromo-2-chlorophenyl)-6,7,8-trimethoxyquinazolin-4-amine

N-(4-bromo-2-chlorophenyl)-6,7,8-trimethoxyquinazolin-4-amine (PubChem CID 24767185) has the molecular formula C17H15BrClN3O3 and a molecular weight of 424.68 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-6,7,8-trimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-6,7,8-trimethoxyquinazolin-4-amine
PubChem CID24767185
Molecular FormulaC17H15BrClN3O3
Molecular Weight424.68 g/mol
Exact Mass423.00
IUPAC NameN-(4-bromo-2-chlorophenyl)-6,7,8-trimethoxyquinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(Br)cc3Cl)ncnc2c(OC)c1OC
InChIInChI=1S/C17H15BrClN3O3/c1-23-13-7-10-14(16(25-3)15(13)24-2)20-8-21-17(10)22-12-5-4-9(18)6-11(12)19/h4-8H,1-3H3,(H,20,21,22)
InChIKeyXLPDVSOEUVUCBT-UHFFFAOYSA-N
XLogP4.82
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.68
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22172651
N-(4-bromo-2-chlorophenyl)-6-chloro-5-methylpyrimidin-4-amine
CID 55230638
6-bromo-N-(3-chloro-4-methoxyphenyl)quinazolin-4-amine
CID 121416177
N-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 11710213
6,7,8-trimethoxy-N-(3-nitrophenyl)quinazolin-4-amine
CID 24767191
4-N-(4-bromo-2-chlorophenyl)-5-propylpyrimidine-4,6-diamine
CID 80772955
N-benzyl-6,7,8-trimethoxyquinazolin-4-amine
CID 18796773
N-(4-bromo-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10906322
N-(2,5-dibromophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine
CID 139962103
3-N-(4-bromo-2-chlorophenyl)pyrazine-2,3-diamine
CID 102985399
6,7,8-trimethoxy-4-methylquinazoline
CID 70672853
6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 146246329

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-6,7,8-trimethoxyquinazolin-4-amine?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-6,7,8-trimethoxyquinazolin-4-amine (CID 24767185) is N-(4-bromo-2-chlorophenyl)-6,7,8-trimethoxyquinazolin-4-amine.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-6,7,8-trimethoxyquinazolin-4-amine?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-6,7,8-trimethoxyquinazolin-4-amine is COc1cc2c(Nc3ccc(Br)cc3Cl)ncnc2c(OC)c1OC.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-6,7,8-trimethoxyquinazolin-4-amine?
The InChIKey is XLPDVSOEUVUCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClN3O3/c1-23-13-7-10-14(16(25-3)15(13)24-2)20-8-21-17(10)22-12-5-4-9(18)6-11(12)19/h4-8H,1-3H3,(H,20,21,22).
What are the key properties of N-(4-bromo-2-chlorophenyl)-6,7,8-trimethoxyquinazolin-4-amine?
N-(4-bromo-2-chlorophenyl)-6,7,8-trimethoxyquinazolin-4-amine has a molecular weight of 424.68 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-6,7,8-trimethoxyquinazolin-4-amine is sourced from PubChem (CID 24767185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).