7-pentan-3-ylpyrrolo[3,2-f]quinazoline-1,3-diamine

C15H19N5 — CID 1881

IUPAC7-pentan-3-ylpyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESCCC(CC)n1ccc2c3c(N)nc(N)nc3ccc21
InChIInChI=1S/C15H19N5/c1-3-9(4-2)20-8-7-10-12(20)6-5-11-13(10)14(16)19-15(17)18-11/h5-9H,3-4H2,1-2H3,(H4,16,17,18,19)
InChIKeyGCPJCLJGTVTGRF-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.11
Rot. Bonds3

About 7-pentan-3-ylpyrrolo[3,2-f]quinazoline-1,3-diamine

7-pentan-3-ylpyrrolo[3,2-f]quinazoline-1,3-diamine (PubChem CID 1881) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 7-pentan-3-ylpyrrolo[3,2-f]quinazoline-1,3-diamine.

Molecular Properties

Compound Name7-pentan-3-ylpyrrolo[3,2-f]quinazoline-1,3-diamine
PubChem CID1881
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name7-pentan-3-ylpyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESCCC(CC)n1ccc2c3c(N)nc(N)nc3ccc21
InChIInChI=1S/C15H19N5/c1-3-9(4-2)20-8-7-10-12(20)6-5-11-13(10)14(16)19-15(17)18-11/h5-9H,3-4H2,1-2H3,(H4,16,17,18,19)
InChIKeyGCPJCLJGTVTGRF-UHFFFAOYSA-N
XLogP3.11
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-pentan-3-ylpyrrolo[3,2-f]quinazoline-1,3-diamine?
The IUPAC name of 7-pentan-3-ylpyrrolo[3,2-f]quinazoline-1,3-diamine (CID 1881) is 7-pentan-3-ylpyrrolo[3,2-f]quinazoline-1,3-diamine.
What is the SMILES notation for 7-pentan-3-ylpyrrolo[3,2-f]quinazoline-1,3-diamine?
The canonical SMILES for 7-pentan-3-ylpyrrolo[3,2-f]quinazoline-1,3-diamine is CCC(CC)n1ccc2c3c(N)nc(N)nc3ccc21.
What is the InChIKey of 7-pentan-3-ylpyrrolo[3,2-f]quinazoline-1,3-diamine?
The InChIKey is GCPJCLJGTVTGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-3-9(4-2)20-8-7-10-12(20)6-5-11-13(10)14(16)19-15(17)18-11/h5-9H,3-4H2,1-2H3,(H4,16,17,18,19).
What are the key properties of 7-pentan-3-ylpyrrolo[3,2-f]quinazoline-1,3-diamine?
7-pentan-3-ylpyrrolo[3,2-f]quinazoline-1,3-diamine has a molecular weight of 269.35 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pentan-3-ylpyrrolo[3,2-f]quinazoline-1,3-diamine is sourced from PubChem (CID 1881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).