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

C16H14N6 — CID 44531949

IUPAC7-(pyridin-2-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESNc1nc(N)c2c(ccc3c2ccn3Cc2ccccn2)n1
InChIInChI=1S/C16H14N6/c17-15-14-11-6-8-22(9-10-3-1-2-7-19-10)13(11)5-4-12(14)20-16(18)21-15/h1-8H,9H2,(H4,17,18,20,21)
InChIKeySVKZTQKOMJSARQ-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.19
Rot. Bonds2

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

7-(pyridin-2-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine (PubChem CID 44531949) has the molecular formula C16H14N6 and a molecular weight of 290.33 g/mol. Its IUPAC name is 7-(pyridin-2-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine.

Molecular Properties

Compound Name7-(pyridin-2-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine
PubChem CID44531949
Molecular FormulaC16H14N6
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name7-(pyridin-2-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESNc1nc(N)c2c(ccc3c2ccn3Cc2ccccn2)n1
InChIInChI=1S/C16H14N6/c17-15-14-11-6-8-22(9-10-3-1-2-7-19-10)13(11)5-4-12(14)20-16(18)21-15/h1-8H,9H2,(H4,17,18,20,21)
InChIKeySVKZTQKOMJSARQ-UHFFFAOYSA-N
XLogP2.19
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(pyridin-2-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine?
The IUPAC name of 7-(pyridin-2-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine (CID 44531949) is 7-(pyridin-2-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine.
What is the SMILES notation for 7-(pyridin-2-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine?
The canonical SMILES for 7-(pyridin-2-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine is Nc1nc(N)c2c(ccc3c2ccn3Cc2ccccn2)n1.
What is the InChIKey of 7-(pyridin-2-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine?
The InChIKey is SVKZTQKOMJSARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6/c17-15-14-11-6-8-22(9-10-3-1-2-7-19-10)13(11)5-4-12(14)20-16(18)21-15/h1-8H,9H2,(H4,17,18,20,21).
What are the key properties of 7-(pyridin-2-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine?
7-(pyridin-2-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine has a molecular weight of 290.33 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(pyridin-2-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine is sourced from PubChem (CID 44531949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).