N-(3-bromophenyl)-3-methylimidazo[4,5-g]quinazolin-8-amine

C16H12BrN5 — CID 2427

IUPACN-(3-bromophenyl)-3-methylimidazo[4,5-g]quinazolin-8-amine
SMILESCn1cnc2cc3c(Nc4cccc(Br)c4)ncnc3cc21
InChIInChI=1S/C16H12BrN5/c1-22-9-20-14-6-12-13(7-15(14)22)18-8-19-16(12)21-11-4-2-3-10(17)5-11/h2-9H,1H3,(H,18,19,21)
InChIKeyYAMAGACQNDAKFB-UHFFFAOYSA-N
MW354.21 g/mol
LogP4.02
Rot. Bonds2

About N-(3-bromophenyl)-3-methylimidazo[4,5-g]quinazolin-8-amine

N-(3-bromophenyl)-3-methylimidazo[4,5-g]quinazolin-8-amine (PubChem CID 2427) has the molecular formula C16H12BrN5 and a molecular weight of 354.21 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-methylimidazo[4,5-g]quinazolin-8-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-methylimidazo[4,5-g]quinazolin-8-amine
PubChem CID2427
Molecular FormulaC16H12BrN5
Molecular Weight354.21 g/mol
Exact Mass353.03
IUPAC NameN-(3-bromophenyl)-3-methylimidazo[4,5-g]quinazolin-8-amine
SMILESCn1cnc2cc3c(Nc4cccc(Br)c4)ncnc3cc21
InChIInChI=1S/C16H12BrN5/c1-22-9-20-14-6-12-13(7-15(14)22)18-8-19-16(12)21-11-4-2-3-10(17)5-11/h2-9H,1H3,(H,18,19,21)
InChIKeyYAMAGACQNDAKFB-UHFFFAOYSA-N
XLogP4.02
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-methylimidazo[4,5-g]quinazolin-8-amine?
The IUPAC name of N-(3-bromophenyl)-3-methylimidazo[4,5-g]quinazolin-8-amine (CID 2427) is N-(3-bromophenyl)-3-methylimidazo[4,5-g]quinazolin-8-amine.
What is the SMILES notation for N-(3-bromophenyl)-3-methylimidazo[4,5-g]quinazolin-8-amine?
The canonical SMILES for N-(3-bromophenyl)-3-methylimidazo[4,5-g]quinazolin-8-amine is Cn1cnc2cc3c(Nc4cccc(Br)c4)ncnc3cc21.
What is the InChIKey of N-(3-bromophenyl)-3-methylimidazo[4,5-g]quinazolin-8-amine?
The InChIKey is YAMAGACQNDAKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN5/c1-22-9-20-14-6-12-13(7-15(14)22)18-8-19-16(12)21-11-4-2-3-10(17)5-11/h2-9H,1H3,(H,18,19,21).
What are the key properties of N-(3-bromophenyl)-3-methylimidazo[4,5-g]quinazolin-8-amine?
N-(3-bromophenyl)-3-methylimidazo[4,5-g]quinazolin-8-amine has a molecular weight of 354.21 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-methylimidazo[4,5-g]quinazolin-8-amine is sourced from PubChem (CID 2427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).