N-(3-bromophenyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine

C16H11BrN4 — CID 5328243

IUPACN-(3-bromophenyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine
SMILESBrc1cccc(Nc2ncnc3cc4[nH]ccc4cc23)c1
InChIInChI=1S/C16H11BrN4/c17-11-2-1-3-12(7-11)21-16-13-6-10-4-5-18-14(10)8-15(13)19-9-20-16/h1-9,18H,(H,19,20,21)
InChIKeyBBFWQWIFLDQYQQ-UHFFFAOYSA-N
MW339.20 g/mol
LogP4.62
Rot. Bonds2

About N-(3-bromophenyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine

N-(3-bromophenyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine (PubChem CID 5328243) has the molecular formula C16H11BrN4 and a molecular weight of 339.20 g/mol. Its IUPAC name is N-(3-bromophenyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine
PubChem CID5328243
Molecular FormulaC16H11BrN4
Molecular Weight339.20 g/mol
Exact Mass338.02
IUPAC NameN-(3-bromophenyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine
SMILESBrc1cccc(Nc2ncnc3cc4[nH]ccc4cc23)c1
InChIInChI=1S/C16H11BrN4/c17-11-2-1-3-12(7-11)21-16-13-6-10-4-5-18-14(10)8-15(13)19-9-20-16/h1-9,18H,(H,19,20,21)
InChIKeyBBFWQWIFLDQYQQ-UHFFFAOYSA-N
XLogP4.62
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine?
The IUPAC name of N-(3-bromophenyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine (CID 5328243) is N-(3-bromophenyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine is Brc1cccc(Nc2ncnc3cc4[nH]ccc4cc23)c1.
What is the InChIKey of N-(3-bromophenyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine?
The InChIKey is BBFWQWIFLDQYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN4/c17-11-2-1-3-12(7-11)21-16-13-6-10-4-5-18-14(10)8-15(13)19-9-20-16/h1-9,18H,(H,19,20,21).
What are the key properties of N-(3-bromophenyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine?
N-(3-bromophenyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine has a molecular weight of 339.20 g/mol, XLogP of 4.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine is sourced from PubChem (CID 5328243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).