6-bromo-N-(3-chloro-4-methoxyphenyl)quinazolin-4-amine

C15H11BrClN3O — CID 121416177

IUPAC6-bromo-N-(3-chloro-4-methoxyphenyl)quinazolin-4-amine
SMILESCOc1ccc(Nc2ncnc3ccc(Br)cc23)cc1Cl
InChIInChI=1S/C15H11BrClN3O/c1-21-14-5-3-10(7-12(14)17)20-15-11-6-9(16)2-4-13(11)18-8-19-15/h2-8H,1H3,(H,18,19,20)
InChIKeyTXZHXJDBNLMADR-UHFFFAOYSA-N
MW364.63 g/mol
LogP4.80
Rot. Bonds3

About 6-bromo-N-(3-chloro-4-methoxyphenyl)quinazolin-4-amine

6-bromo-N-(3-chloro-4-methoxyphenyl)quinazolin-4-amine (PubChem CID 121416177) has the molecular formula C15H11BrClN3O and a molecular weight of 364.63 g/mol. Its IUPAC name is 6-bromo-N-(3-chloro-4-methoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(3-chloro-4-methoxyphenyl)quinazolin-4-amine
PubChem CID121416177
Molecular FormulaC15H11BrClN3O
Molecular Weight364.63 g/mol
Exact Mass362.98
IUPAC Name6-bromo-N-(3-chloro-4-methoxyphenyl)quinazolin-4-amine
SMILESCOc1ccc(Nc2ncnc3ccc(Br)cc23)cc1Cl
InChIInChI=1S/C15H11BrClN3O/c1-21-14-5-3-10(7-12(14)17)20-15-11-6-9(16)2-4-13(11)18-8-19-15/h2-8H,1H3,(H,18,19,20)
InChIKeyTXZHXJDBNLMADR-UHFFFAOYSA-N
XLogP4.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.63
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 19001458
6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine
CID 709498
6-bromo-N-[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine;hydrochloride
CID 67699153
6-bromo-N-[3-chloro-4-(oxolan-3-ylmethoxy)phenyl]quinazolin-4-amine
CID 166539469
6-bromo-N-(3-chlorophenyl)quinazolin-4-amine
CID 720635
4-N-(3-chloro-4-methoxyphenyl)-5-methylpyrimidine-4,6-diamine
CID 80763406
4-N-(3-chloro-4-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80763195
4-(3-bromoanilino)-7-(111C)methoxyquinazolin-6-ol
CID 11142491
4-(3-bromoanilino)-6-methoxyquinazolin-7-ol
CID 135533250
1-[4-[(6-bromoquinazolin-4-yl)amino]phenyl]ethanone
CID 702723
3-bromo-2-N-(3-chloro-4-methoxyphenyl)pyridine-2,5-diamine
CID 79531691
6-bromo-N-[4-[(E)-2-phenylethenyl]phenyl]quinazolin-4-amine
CID 53482314

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-chloro-4-methoxyphenyl)quinazolin-4-amine?
The IUPAC name of 6-bromo-N-(3-chloro-4-methoxyphenyl)quinazolin-4-amine (CID 121416177) is 6-bromo-N-(3-chloro-4-methoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-(3-chloro-4-methoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-(3-chloro-4-methoxyphenyl)quinazolin-4-amine is COc1ccc(Nc2ncnc3ccc(Br)cc23)cc1Cl.
What is the InChIKey of 6-bromo-N-(3-chloro-4-methoxyphenyl)quinazolin-4-amine?
The InChIKey is TXZHXJDBNLMADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN3O/c1-21-14-5-3-10(7-12(14)17)20-15-11-6-9(16)2-4-13(11)18-8-19-15/h2-8H,1H3,(H,18,19,20).
What are the key properties of 6-bromo-N-(3-chloro-4-methoxyphenyl)quinazolin-4-amine?
6-bromo-N-(3-chloro-4-methoxyphenyl)quinazolin-4-amine has a molecular weight of 364.63 g/mol, XLogP of 4.80, 3 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-4-methoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 121416177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).