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

C15H10BrN5 — CID 2428

IUPACN-(3-bromophenyl)-1H-imidazo[4,5-g]quinazolin-8-amine
SMILESBrc1cccc(Nc2ncnc3cc4nc[nH]c4cc23)c1
InChIInChI=1S/C15H10BrN5/c16-9-2-1-3-10(4-9)21-15-11-5-13-14(19-7-18-13)6-12(11)17-8-20-15/h1-8H,(H,18,19)(H,17,20,21)
InChIKeyBZHDPIVTQKXAQQ-UHFFFAOYSA-N
MW340.18 g/mol
LogP4.01
Rot. Bonds2

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

N-(3-bromophenyl)-1H-imidazo[4,5-g]quinazolin-8-amine (PubChem CID 2428) has the molecular formula C15H10BrN5 and a molecular weight of 340.18 g/mol. Its IUPAC name is N-(3-bromophenyl)-1H-imidazo[4,5-g]quinazolin-8-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-1H-imidazo[4,5-g]quinazolin-8-amine
PubChem CID2428
Molecular FormulaC15H10BrN5
Molecular Weight340.18 g/mol
Exact Mass339.01
IUPAC NameN-(3-bromophenyl)-1H-imidazo[4,5-g]quinazolin-8-amine
SMILESBrc1cccc(Nc2ncnc3cc4nc[nH]c4cc23)c1
InChIInChI=1S/C15H10BrN5/c16-9-2-1-3-10(4-9)21-15-11-5-13-14(19-7-18-13)6-12(11)17-8-20-15/h1-8H,(H,18,19)(H,17,20,21)
InChIKeyBZHDPIVTQKXAQQ-UHFFFAOYSA-N
XLogP4.01
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1H-imidazo[4,5-g]quinazolin-8-amine?
The IUPAC name of N-(3-bromophenyl)-1H-imidazo[4,5-g]quinazolin-8-amine (CID 2428) is N-(3-bromophenyl)-1H-imidazo[4,5-g]quinazolin-8-amine.
What is the SMILES notation for N-(3-bromophenyl)-1H-imidazo[4,5-g]quinazolin-8-amine?
The canonical SMILES for N-(3-bromophenyl)-1H-imidazo[4,5-g]quinazolin-8-amine is Brc1cccc(Nc2ncnc3cc4nc[nH]c4cc23)c1.
What is the InChIKey of N-(3-bromophenyl)-1H-imidazo[4,5-g]quinazolin-8-amine?
The InChIKey is BZHDPIVTQKXAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN5/c16-9-2-1-3-10(4-9)21-15-11-5-13-14(19-7-18-13)6-12(11)17-8-20-15/h1-8H,(H,18,19)(H,17,20,21).
What are the key properties of N-(3-bromophenyl)-1H-imidazo[4,5-g]quinazolin-8-amine?
N-(3-bromophenyl)-1H-imidazo[4,5-g]quinazolin-8-amine has a molecular weight of 340.18 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1H-imidazo[4,5-g]quinazolin-8-amine is sourced from PubChem (CID 2428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).