7-(naphthalen-2-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine

C21H17N5 — CID 10065802

IUPAC7-(naphthalen-2-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESNc1nc(N)c2c(ccc3c2ccn3Cc2ccc3ccccc3c2)n1
InChIInChI=1S/C21H17N5/c22-20-19-16-9-10-26(18(16)8-7-17(19)24-21(23)25-20)12-13-5-6-14-3-1-2-4-15(14)11-13/h1-11H,12H2,(H4,22,23,24,25)
InChIKeyZQPHIGGVONVAFD-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.95
Rot. Bonds2

About 7-(naphthalen-2-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine

7-(naphthalen-2-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine (PubChem CID 10065802) has the molecular formula C21H17N5 and a molecular weight of 339.40 g/mol. Its IUPAC name is 7-(naphthalen-2-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine.

Molecular Properties

Compound Name7-(naphthalen-2-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine
PubChem CID10065802
Molecular FormulaC21H17N5
Molecular Weight339.40 g/mol
Exact Mass339.15
IUPAC Name7-(naphthalen-2-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESNc1nc(N)c2c(ccc3c2ccn3Cc2ccc3ccccc3c2)n1
InChIInChI=1S/C21H17N5/c22-20-19-16-9-10-26(18(16)8-7-17(19)24-21(23)25-20)12-13-5-6-14-3-1-2-4-15(14)11-13/h1-11H,12H2,(H4,22,23,24,25)
InChIKeyZQPHIGGVONVAFD-UHFFFAOYSA-N
XLogP3.95
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(naphthalen-2-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine?
The IUPAC name of 7-(naphthalen-2-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine (CID 10065802) is 7-(naphthalen-2-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine.
What is the SMILES notation for 7-(naphthalen-2-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine?
The canonical SMILES for 7-(naphthalen-2-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine is Nc1nc(N)c2c(ccc3c2ccn3Cc2ccc3ccccc3c2)n1.
What is the InChIKey of 7-(naphthalen-2-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine?
The InChIKey is ZQPHIGGVONVAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5/c22-20-19-16-9-10-26(18(16)8-7-17(19)24-21(23)25-20)12-13-5-6-14-3-1-2-4-15(14)11-13/h1-11H,12H2,(H4,22,23,24,25).
What are the key properties of 7-(naphthalen-2-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine?
7-(naphthalen-2-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine has a molecular weight of 339.40 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(naphthalen-2-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine is sourced from PubChem (CID 10065802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).