N-(3-bromophenyl)-3H-imidazo[4,5-h]quinazolin-6-amine

C15H10BrN5 — CID 5328239

IUPACN-(3-bromophenyl)-3H-imidazo[4,5-h]quinazolin-6-amine
SMILESBrc1cccc(Nc2ncnc3c2ccc2[nH]cnc23)c1
InChIInChI=1S/C15H10BrN5/c16-9-2-1-3-10(6-9)21-15-11-4-5-12-14(19-7-17-12)13(11)18-8-20-15/h1-8H,(H,17,19)(H,18,20,21)
InChIKeyNIYBTTXLFLIXIE-UHFFFAOYSA-N
MW340.18 g/mol
LogP4.01
Rot. Bonds2

About N-(3-bromophenyl)-3H-imidazo[4,5-h]quinazolin-6-amine

N-(3-bromophenyl)-3H-imidazo[4,5-h]quinazolin-6-amine (PubChem CID 5328239) has the molecular formula C15H10BrN5 and a molecular weight of 340.18 g/mol. Its IUPAC name is N-(3-bromophenyl)-3H-imidazo[4,5-h]quinazolin-6-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-3H-imidazo[4,5-h]quinazolin-6-amine
PubChem CID5328239
Molecular FormulaC15H10BrN5
Molecular Weight340.18 g/mol
Exact Mass339.01
IUPAC NameN-(3-bromophenyl)-3H-imidazo[4,5-h]quinazolin-6-amine
SMILESBrc1cccc(Nc2ncnc3c2ccc2[nH]cnc23)c1
InChIInChI=1S/C15H10BrN5/c16-9-2-1-3-10(6-9)21-15-11-4-5-12-14(19-7-17-12)13(11)18-8-20-15/h1-8H,(H,17,19)(H,18,20,21)
InChIKeyNIYBTTXLFLIXIE-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)-3H-imidazo[4,5-h]quinazolin-6-amine?
The IUPAC name of N-(3-bromophenyl)-3H-imidazo[4,5-h]quinazolin-6-amine (CID 5328239) is N-(3-bromophenyl)-3H-imidazo[4,5-h]quinazolin-6-amine.
What is the SMILES notation for N-(3-bromophenyl)-3H-imidazo[4,5-h]quinazolin-6-amine?
The canonical SMILES for N-(3-bromophenyl)-3H-imidazo[4,5-h]quinazolin-6-amine is Brc1cccc(Nc2ncnc3c2ccc2[nH]cnc23)c1.
What is the InChIKey of N-(3-bromophenyl)-3H-imidazo[4,5-h]quinazolin-6-amine?
The InChIKey is NIYBTTXLFLIXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN5/c16-9-2-1-3-10(6-9)21-15-11-4-5-12-14(19-7-17-12)13(11)18-8-20-15/h1-8H,(H,17,19)(H,18,20,21).
What are the key properties of N-(3-bromophenyl)-3H-imidazo[4,5-h]quinazolin-6-amine?
N-(3-bromophenyl)-3H-imidazo[4,5-h]quinazolin-6-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)-3H-imidazo[4,5-h]quinazolin-6-amine is sourced from PubChem (CID 5328239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).