8-methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine

C11H11N5 — CID 2754456

IUPAC8-methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESCc1cc2c(ccc3nc(N)nc(N)c32)[nH]1
InChIInChI=1S/C11H11N5/c1-5-4-6-7(14-5)2-3-8-9(6)10(12)16-11(13)15-8/h2-4,14H,1H3,(H4,12,13,15,16)
InChIKeyTVZWUWIEIFOOSS-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.58
Rot. Bonds

About 8-methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine

8-methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine (PubChem CID 2754456) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is 8-methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine.

Molecular Properties

Compound Name8-methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine
PubChem CID2754456
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name8-methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESCc1cc2c(ccc3nc(N)nc(N)c32)[nH]1
InChIInChI=1S/C11H11N5/c1-5-4-6-7(14-5)2-3-8-9(6)10(12)16-11(13)15-8/h2-4,14H,1H3,(H4,12,13,15,16)
InChIKeyTVZWUWIEIFOOSS-UHFFFAOYSA-N
XLogP1.58
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine?
The IUPAC name of 8-methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine (CID 2754456) is 8-methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine.
What is the SMILES notation for 8-methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine?
The canonical SMILES for 8-methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine is Cc1cc2c(ccc3nc(N)nc(N)c32)[nH]1.
What is the InChIKey of 8-methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine?
The InChIKey is TVZWUWIEIFOOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5/c1-5-4-6-7(14-5)2-3-8-9(6)10(12)16-11(13)15-8/h2-4,14H,1H3,(H4,12,13,15,16).
What are the key properties of 8-methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine?
8-methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine has a molecular weight of 213.24 g/mol, XLogP of 1.58, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine is sourced from PubChem (CID 2754456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).