6-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-2-amine

C16H13BrFN3O — CID 177253905

IUPAC6-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-2-amine
SMILESCOc1ccc(CNc2ncc3c(F)c(Br)ccc3n2)cc1
InChIInChI=1S/C16H13BrFN3O/c1-22-11-4-2-10(3-5-11)8-19-16-20-9-12-14(21-16)7-6-13(17)15(12)18/h2-7,9H,8H2,1H3,(H,19,20,21)
InChIKeyMEAZCYXEBARGBW-UHFFFAOYSA-N
MW362.20 g/mol
LogP4.15
Rot. Bonds4

About 6-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-2-amine

6-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-2-amine (PubChem CID 177253905) has the molecular formula C16H13BrFN3O and a molecular weight of 362.20 g/mol. Its IUPAC name is 6-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-2-amine.

Molecular Properties

Compound Name6-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-2-amine
PubChem CID177253905
Molecular FormulaC16H13BrFN3O
Molecular Weight362.20 g/mol
Exact Mass361.02
IUPAC Name6-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-2-amine
SMILESCOc1ccc(CNc2ncc3c(F)c(Br)ccc3n2)cc1
InChIInChI=1S/C16H13BrFN3O/c1-22-11-4-2-10(3-5-11)8-19-16-20-9-12-14(21-16)7-6-13(17)15(12)18/h2-7,9H,8H2,1H3,(H,19,20,21)
InChIKeyMEAZCYXEBARGBW-UHFFFAOYSA-N
XLogP4.15
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.20
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]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

7-Methoxyquinazoline
CID 12213273
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
4-N-(3-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328263
N-benzyl-7-methoxyquinazolin-4-amine
CID 5328032
N-(3-bromophenyl)-6-methoxyquinazolin-4-amine
CID 5328043
N-(3-bromophenyl)-5-methoxyquinazolin-4-amine
CID 5328040
N-(3-bromophenyl)-7-methoxyquinazolin-4-amine
CID 5328046
6-bromo-N-(4-methoxyphenyl)-4-phenylquinazolin-2-amine
CID 6426537
N1-[3-bromo-7-(4-methoxyphenyl)-1,6-naphthyridin-5-yl]-1,3-propanediamine
CID 10287337
Allyl-[6-[4-(4-bromo-phenyl)-quinazolin-7-yloxy]-hexyl]-methyl-amine
CID 10994090
N-(4-bromo-2-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 21701562
4-N-benzyl-2-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 45382111

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-2-amine?
The IUPAC name of 6-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-2-amine (CID 177253905) is 6-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-2-amine.
What is the SMILES notation for 6-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-2-amine?
The canonical SMILES for 6-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-2-amine is COc1ccc(CNc2ncc3c(F)c(Br)ccc3n2)cc1.
What is the InChIKey of 6-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-2-amine?
The InChIKey is MEAZCYXEBARGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3O/c1-22-11-4-2-10(3-5-11)8-19-16-20-9-12-14(21-16)7-6-13(17)15(12)18/h2-7,9H,8H2,1H3,(H,19,20,21).
What are the key properties of 6-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-2-amine?
6-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-2-amine has a molecular weight of 362.20 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-2-amine is sourced from PubChem (CID 177253905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).