4-imino-2-methylthieno[2,3-b]quinolizine-7-carboxamide

C13H11N3OS — CID 70589446

IUPAC4-imino-2-methylthieno[2,3-b]quinolizine-7-carboxamide
SMILES[H]/N=c1\c2cc(C)sc2cc2ccc(C(N)=O)cn12
InChIInChI=1S/C13H11N3OS/c1-7-4-10-11(18-7)5-9-3-2-8(13(15)17)6-16(9)12(10)14/h2-6,14H,1H3,(H2,15,17)/b14-12+
InChIKeyUXOPSLQXZKHBQY-WYMLVPIESA-N
MW257.32 g/mol
LogP2.04
Rot. Bonds1

About 4-imino-2-methylthieno[2,3-b]quinolizine-7-carboxamide

4-imino-2-methylthieno[2,3-b]quinolizine-7-carboxamide (PubChem CID 70589446) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 4-imino-2-methylthieno[2,3-b]quinolizine-7-carboxamide.

Molecular Properties

Compound Name4-imino-2-methylthieno[2,3-b]quinolizine-7-carboxamide
PubChem CID70589446
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name4-imino-2-methylthieno[2,3-b]quinolizine-7-carboxamide
SMILES[H]/N=c1\c2cc(C)sc2cc2ccc(C(N)=O)cn12
InChIInChI=1S/C13H11N3OS/c1-7-4-10-11(18-7)5-9-3-2-8(13(15)17)6-16(9)12(10)14/h2-6,14H,1H3,(H2,15,17)/b14-12+
InChIKeyUXOPSLQXZKHBQY-WYMLVPIESA-N
XLogP2.04
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-imino-2-methylthieno[2,3-b]quinolizine-7-carboxamide?
The IUPAC name of 4-imino-2-methylthieno[2,3-b]quinolizine-7-carboxamide (CID 70589446) is 4-imino-2-methylthieno[2,3-b]quinolizine-7-carboxamide.
What is the SMILES notation for 4-imino-2-methylthieno[2,3-b]quinolizine-7-carboxamide?
The canonical SMILES for 4-imino-2-methylthieno[2,3-b]quinolizine-7-carboxamide is [H]/N=c1\c2cc(C)sc2cc2ccc(C(N)=O)cn12.
What is the InChIKey of 4-imino-2-methylthieno[2,3-b]quinolizine-7-carboxamide?
The InChIKey is UXOPSLQXZKHBQY-WYMLVPIESA-N. The full InChI is InChI=1S/C13H11N3OS/c1-7-4-10-11(18-7)5-9-3-2-8(13(15)17)6-16(9)12(10)14/h2-6,14H,1H3,(H2,15,17)/b14-12+.
What are the key properties of 4-imino-2-methylthieno[2,3-b]quinolizine-7-carboxamide?
4-imino-2-methylthieno[2,3-b]quinolizine-7-carboxamide has a molecular weight of 257.32 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-2-methylthieno[2,3-b]quinolizine-7-carboxamide is sourced from PubChem (CID 70589446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).