N-(3-bromophenyl)-1-methylimidazo[4,5-g]quinazolin-8-amine

C16H12BrN5 — CID 5328234

IUPACN-(3-bromophenyl)-1-methylimidazo[4,5-g]quinazolin-8-amine
SMILESCn1cnc2cc3ncnc(Nc4cccc(Br)c4)c3cc21
InChIInChI=1S/C16H12BrN5/c1-22-9-20-14-7-13-12(6-15(14)22)16(19-8-18-13)21-11-4-2-3-10(17)5-11/h2-9H,1H3,(H,18,19,21)
InChIKeyLQIKOEJHMCCOSP-UHFFFAOYSA-N
MW354.21 g/mol
LogP4.02
Rot. Bonds2

About N-(3-bromophenyl)-1-methylimidazo[4,5-g]quinazolin-8-amine

N-(3-bromophenyl)-1-methylimidazo[4,5-g]quinazolin-8-amine (PubChem CID 5328234) has the molecular formula C16H12BrN5 and a molecular weight of 354.21 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-methylimidazo[4,5-g]quinazolin-8-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-methylimidazo[4,5-g]quinazolin-8-amine
PubChem CID5328234
Molecular FormulaC16H12BrN5
Molecular Weight354.21 g/mol
Exact Mass353.03
IUPAC NameN-(3-bromophenyl)-1-methylimidazo[4,5-g]quinazolin-8-amine
SMILESCn1cnc2cc3ncnc(Nc4cccc(Br)c4)c3cc21
InChIInChI=1S/C16H12BrN5/c1-22-9-20-14-7-13-12(6-15(14)22)16(19-8-18-13)21-11-4-2-3-10(17)5-11/h2-9H,1H3,(H,18,19,21)
InChIKeyLQIKOEJHMCCOSP-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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Related Compounds

2-Amino-3-methylimidazo(4,5-f)quinoline
CID 53462
2-Amino-3,4-dimethylimidazo(4,5-f)quinoline
CID 62274
2-Amino-3,4,8-trimethylimidazo(4,5-f)quinoxaline
CID 104739
N4-(3-Bromophenyl)quinazoline-4,6-diamine
CID 5328042
N4-(3-bromophenyl)-4,6,7-Quinazolinetriamine
CID 2426
Bpiq-i
CID 2427
N-(3-bromophenyl)-1H-imidazo[4,5-g]quinazolin-8-amine
CID 2428
6-Amino-4-[(3-bromophenyl)amino]-7-(methylamino)quinazoline
CID 4706
7-Amino-4-[(3-bromophenyl)amino]quinazoline
CID 5328045
N-(3-bromophenyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine
CID 5328243
N-(3-bromophenyl)-1-methyl-1H-pyrazolo[4,3-g]quinazolin-5-amine
CID 5328280
N-(3-bromophenyl)-8-methyl-8H-pyrrolo[3,2-g]quinazolin-4-amine
CID 5328285

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-methylimidazo[4,5-g]quinazolin-8-amine?
The IUPAC name of N-(3-bromophenyl)-1-methylimidazo[4,5-g]quinazolin-8-amine (CID 5328234) is N-(3-bromophenyl)-1-methylimidazo[4,5-g]quinazolin-8-amine.
What is the SMILES notation for N-(3-bromophenyl)-1-methylimidazo[4,5-g]quinazolin-8-amine?
The canonical SMILES for N-(3-bromophenyl)-1-methylimidazo[4,5-g]quinazolin-8-amine is Cn1cnc2cc3ncnc(Nc4cccc(Br)c4)c3cc21.
What is the InChIKey of N-(3-bromophenyl)-1-methylimidazo[4,5-g]quinazolin-8-amine?
The InChIKey is LQIKOEJHMCCOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN5/c1-22-9-20-14-7-13-12(6-15(14)22)16(19-8-18-13)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)-1-methylimidazo[4,5-g]quinazolin-8-amine?
N-(3-bromophenyl)-1-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)-1-methylimidazo[4,5-g]quinazolin-8-amine is sourced from PubChem (CID 5328234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).