7-N-benzylpyrrolo[3,2-f]quinazoline-1,3,7-triamine

C17H16N6 — CID 177334875

IUPAC7-N-benzylpyrrolo[3,2-f]quinazoline-1,3,7-triamine
SMILESNc1nc(N)c2c(ccc3c2ccn3NCc2ccccc2)n1
InChIInChI=1S/C17H16N6/c18-16-15-12-8-9-23(20-10-11-4-2-1-3-5-11)14(12)7-6-13(15)21-17(19)22-16/h1-9,20H,10H2,(H4,18,19,21,22)
InChIKeyNSCXXUAJXMEXTQ-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.49
Rot. Bonds3

About 7-N-benzylpyrrolo[3,2-f]quinazoline-1,3,7-triamine

7-N-benzylpyrrolo[3,2-f]quinazoline-1,3,7-triamine (PubChem CID 177334875) has the molecular formula C17H16N6 and a molecular weight of 304.36 g/mol. Its IUPAC name is 7-N-benzylpyrrolo[3,2-f]quinazoline-1,3,7-triamine.

Molecular Properties

Compound Name7-N-benzylpyrrolo[3,2-f]quinazoline-1,3,7-triamine
PubChem CID177334875
Molecular FormulaC17H16N6
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC Name7-N-benzylpyrrolo[3,2-f]quinazoline-1,3,7-triamine
SMILESNc1nc(N)c2c(ccc3c2ccn3NCc2ccccc2)n1
InChIInChI=1S/C17H16N6/c18-16-15-12-8-9-23(20-10-11-4-2-1-3-5-11)14(12)7-6-13(15)21-17(19)22-16/h1-9,20H,10H2,(H4,18,19,21,22)
InChIKeyNSCXXUAJXMEXTQ-UHFFFAOYSA-N
XLogP2.49
TPSA94.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-N-benzylpyrrolo[3,2-f]quinazoline-1,3,7-triamine?
The IUPAC name of 7-N-benzylpyrrolo[3,2-f]quinazoline-1,3,7-triamine (CID 177334875) is 7-N-benzylpyrrolo[3,2-f]quinazoline-1,3,7-triamine.
What is the SMILES notation for 7-N-benzylpyrrolo[3,2-f]quinazoline-1,3,7-triamine?
The canonical SMILES for 7-N-benzylpyrrolo[3,2-f]quinazoline-1,3,7-triamine is Nc1nc(N)c2c(ccc3c2ccn3NCc2ccccc2)n1.
What is the InChIKey of 7-N-benzylpyrrolo[3,2-f]quinazoline-1,3,7-triamine?
The InChIKey is NSCXXUAJXMEXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6/c18-16-15-12-8-9-23(20-10-11-4-2-1-3-5-11)14(12)7-6-13(15)21-17(19)22-16/h1-9,20H,10H2,(H4,18,19,21,22).
What are the key properties of 7-N-benzylpyrrolo[3,2-f]quinazoline-1,3,7-triamine?
7-N-benzylpyrrolo[3,2-f]quinazoline-1,3,7-triamine has a molecular weight of 304.36 g/mol, XLogP of 2.49, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-benzylpyrrolo[3,2-f]quinazoline-1,3,7-triamine is sourced from PubChem (CID 177334875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).