6-bromo-N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]quinazolin-2-amine

C17H14BrN7O — CID 59452130

IUPAC6-bromo-N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]quinazolin-2-amine
SMILESCOc1cc(Nc2ncc3cc(Br)ccc3n2)cc(-n2nnnc2C)c1
InChIInChI=1S/C17H14BrN7O/c1-10-22-23-24-25(10)14-6-13(7-15(8-14)26-2)20-17-19-9-11-5-12(18)3-4-16(11)21-17/h3-9H,1-2H3,(H,19,20,21)
InChIKeyFPULOLAVSYXGEO-UHFFFAOYSA-N
MW412.25 g/mol
LogP3.43
Rot. Bonds4

About 6-bromo-N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]quinazolin-2-amine

6-bromo-N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]quinazolin-2-amine (PubChem CID 59452130) has the molecular formula C17H14BrN7O and a molecular weight of 412.25 g/mol. Its IUPAC name is 6-bromo-N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]quinazolin-2-amine.

Molecular Properties

Compound Name6-bromo-N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]quinazolin-2-amine
PubChem CID59452130
Molecular FormulaC17H14BrN7O
Molecular Weight412.25 g/mol
Exact Mass411.04
IUPAC Name6-bromo-N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]quinazolin-2-amine
SMILESCOc1cc(Nc2ncc3cc(Br)ccc3n2)cc(-n2nnnc2C)c1
InChIInChI=1S/C17H14BrN7O/c1-10-22-23-24-25(10)14-6-13(7-15(8-14)26-2)20-17-19-9-11-5-12(18)3-4-16(11)21-17/h3-9H,1-2H3,(H,19,20,21)
InChIKeyFPULOLAVSYXGEO-UHFFFAOYSA-N
XLogP3.43
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.25
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-bromo-N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]quinazolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromophenyl)-5-methoxyquinazolin-4-amine
CID 5328040
N-(3-bromophenyl)-7-methoxyquinazolin-4-amine
CID 5328046
4-N-(2,3-dimethylindazol-6-yl)-2-N-(3-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 54673096
2-N-(3-methoxyphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine
CID 56649380
N-(3-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 71296003
6-bromo-N-(4-methoxyphenyl)quinazolin-4-amine
CID 710701
N-(3-methoxyphenyl)-2-(pyridin-3-yl)quinazolin-4-amine
CID 787509
(1S,3S)-N1-((5-bromo-1-methyl-1H-indol-3-yl)methyl)-N3-(7-methoxy-4-methylquinolin-2-yl)cyclohexane-1,3-diamine
CID 44442124
6-bromo-N-(3-methoxyphenyl)-9H-pyrido[2,3-b]indol-4-amine
CID 76318470
N-(4-bromo-3-methoxyphenyl)-9H-pyrido[2,3-b]indol-4-amine
CID 90654489
N-(4-bromo-3-methoxyphenyl)-2-phenylquinazolin-4-amine
CID 155557648
6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine
CID 709498

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]quinazolin-2-amine?
The IUPAC name of 6-bromo-N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]quinazolin-2-amine (CID 59452130) is 6-bromo-N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]quinazolin-2-amine.
What is the SMILES notation for 6-bromo-N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]quinazolin-2-amine?
The canonical SMILES for 6-bromo-N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]quinazolin-2-amine is COc1cc(Nc2ncc3cc(Br)ccc3n2)cc(-n2nnnc2C)c1.
What is the InChIKey of 6-bromo-N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]quinazolin-2-amine?
The InChIKey is FPULOLAVSYXGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN7O/c1-10-22-23-24-25(10)14-6-13(7-15(8-14)26-2)20-17-19-9-11-5-12(18)3-4-16(11)21-17/h3-9H,1-2H3,(H,19,20,21).
What are the key properties of 6-bromo-N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]quinazolin-2-amine?
6-bromo-N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]quinazolin-2-amine has a molecular weight of 412.25 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]quinazolin-2-amine is sourced from PubChem (CID 59452130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).