N-phenyl-8H-pyrrolo[3,2-g]quinazolin-4-amine

C16H12N4 — CID 59076984

IUPACN-phenyl-8H-pyrrolo[3,2-g]quinazolin-4-amine
SMILESc1ccc(Nc2ncnc3cc4[nH]ccc4cc23)cc1
InChIInChI=1S/C16H12N4/c1-2-4-12(5-3-1)20-16-13-8-11-6-7-17-14(11)9-15(13)18-10-19-16/h1-10,17H,(H,18,19,20)
InChIKeyXFZAGZJXMLHAJD-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.85
Rot. Bonds2

About N-phenyl-8H-pyrrolo[3,2-g]quinazolin-4-amine

N-phenyl-8H-pyrrolo[3,2-g]quinazolin-4-amine (PubChem CID 59076984) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-phenyl-8H-pyrrolo[3,2-g]quinazolin-4-amine.

Molecular Properties

Compound NameN-phenyl-8H-pyrrolo[3,2-g]quinazolin-4-amine
PubChem CID59076984
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC NameN-phenyl-8H-pyrrolo[3,2-g]quinazolin-4-amine
SMILESc1ccc(Nc2ncnc3cc4[nH]ccc4cc23)cc1
InChIInChI=1S/C16H12N4/c1-2-4-12(5-3-1)20-16-13-8-11-6-7-17-14(11)9-15(13)18-10-19-16/h1-10,17H,(H,18,19,20)
InChIKeyXFZAGZJXMLHAJD-UHFFFAOYSA-N
XLogP3.85
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-8H-pyrrolo[3,2-g]quinazolin-4-amine?
The IUPAC name of N-phenyl-8H-pyrrolo[3,2-g]quinazolin-4-amine (CID 59076984) is N-phenyl-8H-pyrrolo[3,2-g]quinazolin-4-amine.
What is the SMILES notation for N-phenyl-8H-pyrrolo[3,2-g]quinazolin-4-amine?
The canonical SMILES for N-phenyl-8H-pyrrolo[3,2-g]quinazolin-4-amine is c1ccc(Nc2ncnc3cc4[nH]ccc4cc23)cc1.
What is the InChIKey of N-phenyl-8H-pyrrolo[3,2-g]quinazolin-4-amine?
The InChIKey is XFZAGZJXMLHAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c1-2-4-12(5-3-1)20-16-13-8-11-6-7-17-14(11)9-15(13)18-10-19-16/h1-10,17H,(H,18,19,20).
What are the key properties of N-phenyl-8H-pyrrolo[3,2-g]quinazolin-4-amine?
N-phenyl-8H-pyrrolo[3,2-g]quinazolin-4-amine has a molecular weight of 260.30 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-8H-pyrrolo[3,2-g]quinazolin-4-amine is sourced from PubChem (CID 59076984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).