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

C15H10BrN5 — CID 5328241

IUPACN-(3-bromophenyl)-1H-pyrazolo[3,4-g]quinazolin-8-amine
SMILESBrc1cccc(Nc2ncnc3cc4cn[nH]c4cc23)c1
InChIInChI=1S/C15H10BrN5/c16-10-2-1-3-11(5-10)20-15-12-6-13-9(7-19-21-13)4-14(12)17-8-18-15/h1-8H,(H,19,21)(H,17,18,20)
InChIKeyPKYIIOKOAUBHMM-UHFFFAOYSA-N
MW340.18 g/mol
LogP4.01
Rot. Bonds2

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

N-(3-bromophenyl)-1H-pyrazolo[3,4-g]quinazolin-8-amine (PubChem CID 5328241) has the molecular formula C15H10BrN5 and a molecular weight of 340.18 g/mol. Its IUPAC name is N-(3-bromophenyl)-1H-pyrazolo[3,4-g]quinazolin-8-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-1H-pyrazolo[3,4-g]quinazolin-8-amine
PubChem CID5328241
Molecular FormulaC15H10BrN5
Molecular Weight340.18 g/mol
Exact Mass339.01
IUPAC NameN-(3-bromophenyl)-1H-pyrazolo[3,4-g]quinazolin-8-amine
SMILESBrc1cccc(Nc2ncnc3cc4cn[nH]c4cc23)c1
InChIInChI=1S/C15H10BrN5/c16-10-2-1-3-11(5-10)20-15-12-6-13-9(7-19-21-13)4-14(12)17-8-18-15/h1-8H,(H,19,21)(H,17,18,20)
InChIKeyPKYIIOKOAUBHMM-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-pyrazolo[3,4-g]quinazolin-8-amine?
The IUPAC name of N-(3-bromophenyl)-1H-pyrazolo[3,4-g]quinazolin-8-amine (CID 5328241) is N-(3-bromophenyl)-1H-pyrazolo[3,4-g]quinazolin-8-amine.
What is the SMILES notation for N-(3-bromophenyl)-1H-pyrazolo[3,4-g]quinazolin-8-amine?
The canonical SMILES for N-(3-bromophenyl)-1H-pyrazolo[3,4-g]quinazolin-8-amine is Brc1cccc(Nc2ncnc3cc4cn[nH]c4cc23)c1.
What is the InChIKey of N-(3-bromophenyl)-1H-pyrazolo[3,4-g]quinazolin-8-amine?
The InChIKey is PKYIIOKOAUBHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN5/c16-10-2-1-3-11(5-10)20-15-12-6-13-9(7-19-21-13)4-14(12)17-8-18-15/h1-8H,(H,19,21)(H,17,18,20).
What are the key properties of N-(3-bromophenyl)-1H-pyrazolo[3,4-g]quinazolin-8-amine?
N-(3-bromophenyl)-1H-pyrazolo[3,4-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-pyrazolo[3,4-g]quinazolin-8-amine is sourced from PubChem (CID 5328241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).