7-methyl-6-(5-methylthiophen-2-yl)pyrrolo[3,2-f]quinazolin-3-amine

C16H14N4S — CID 141101177

IUPAC7-methyl-6-(5-methylthiophen-2-yl)pyrrolo[3,2-f]quinazolin-3-amine
SMILESCc1ccc(-c2cc3nc(N)ncc3c3ccn(C)c23)s1
InChIInChI=1S/C16H14N4S/c1-9-3-4-14(21-9)11-7-13-12(8-18-16(17)19-13)10-5-6-20(2)15(10)11/h3-8H,1-2H3,(H2,17,18,19)
InChIKeyDXBSYSXJLRBVAI-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.74
Rot. Bonds1

About 7-methyl-6-(5-methylthiophen-2-yl)pyrrolo[3,2-f]quinazolin-3-amine

7-methyl-6-(5-methylthiophen-2-yl)pyrrolo[3,2-f]quinazolin-3-amine (PubChem CID 141101177) has the molecular formula C16H14N4S and a molecular weight of 294.38 g/mol. Its IUPAC name is 7-methyl-6-(5-methylthiophen-2-yl)pyrrolo[3,2-f]quinazolin-3-amine.

Molecular Properties

Compound Name7-methyl-6-(5-methylthiophen-2-yl)pyrrolo[3,2-f]quinazolin-3-amine
PubChem CID141101177
Molecular FormulaC16H14N4S
Molecular Weight294.38 g/mol
Exact Mass294.09
IUPAC Name7-methyl-6-(5-methylthiophen-2-yl)pyrrolo[3,2-f]quinazolin-3-amine
SMILESCc1ccc(-c2cc3nc(N)ncc3c3ccn(C)c23)s1
InChIInChI=1S/C16H14N4S/c1-9-3-4-14(21-9)11-7-13-12(8-18-16(17)19-13)10-5-6-20(2)15(10)11/h3-8H,1-2H3,(H2,17,18,19)
InChIKeyDXBSYSXJLRBVAI-UHFFFAOYSA-N
XLogP3.74
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-(5-methylthiophen-2-yl)pyrrolo[3,2-f]quinazolin-3-amine?
The IUPAC name of 7-methyl-6-(5-methylthiophen-2-yl)pyrrolo[3,2-f]quinazolin-3-amine (CID 141101177) is 7-methyl-6-(5-methylthiophen-2-yl)pyrrolo[3,2-f]quinazolin-3-amine.
What is the SMILES notation for 7-methyl-6-(5-methylthiophen-2-yl)pyrrolo[3,2-f]quinazolin-3-amine?
The canonical SMILES for 7-methyl-6-(5-methylthiophen-2-yl)pyrrolo[3,2-f]quinazolin-3-amine is Cc1ccc(-c2cc3nc(N)ncc3c3ccn(C)c23)s1.
What is the InChIKey of 7-methyl-6-(5-methylthiophen-2-yl)pyrrolo[3,2-f]quinazolin-3-amine?
The InChIKey is DXBSYSXJLRBVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4S/c1-9-3-4-14(21-9)11-7-13-12(8-18-16(17)19-13)10-5-6-20(2)15(10)11/h3-8H,1-2H3,(H2,17,18,19).
What are the key properties of 7-methyl-6-(5-methylthiophen-2-yl)pyrrolo[3,2-f]quinazolin-3-amine?
7-methyl-6-(5-methylthiophen-2-yl)pyrrolo[3,2-f]quinazolin-3-amine has a molecular weight of 294.38 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-(5-methylthiophen-2-yl)pyrrolo[3,2-f]quinazolin-3-amine is sourced from PubChem (CID 141101177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).