N-(1,3-benzodioxol-5-yl)-7-methylthieno[2,3-b]quinoline-2-carboxamide

C20H14N2O3S — CID 22434509

IUPACN-(1,3-benzodioxol-5-yl)-7-methylthieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccc2cc3cc(C(=O)Nc4ccc5c(c4)OCO5)sc3nc2c1
InChIInChI=1S/C20H14N2O3S/c1-11-2-3-12-7-13-8-18(26-20(13)22-15(12)6-11)19(23)21-14-4-5-16-17(9-14)25-10-24-16/h2-9H,10H2,1H3,(H,21,23)
InChIKeyPDCBJRSMNNZZDP-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.74
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-7-methylthieno[2,3-b]quinoline-2-carboxamide

N-(1,3-benzodioxol-5-yl)-7-methylthieno[2,3-b]quinoline-2-carboxamide (PubChem CID 22434509) has the molecular formula C20H14N2O3S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-7-methylthieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-7-methylthieno[2,3-b]quinoline-2-carboxamide
PubChem CID22434509
Molecular FormulaC20H14N2O3S
Molecular Weight362.41 g/mol
Exact Mass362.07
IUPAC NameN-(1,3-benzodioxol-5-yl)-7-methylthieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccc2cc3cc(C(=O)Nc4ccc5c(c4)OCO5)sc3nc2c1
InChIInChI=1S/C20H14N2O3S/c1-11-2-3-12-7-13-8-18(26-20(13)22-15(12)6-11)19(23)21-14-4-5-16-17(9-14)25-10-24-16/h2-9H,10H2,1H3,(H,21,23)
InChIKeyPDCBJRSMNNZZDP-UHFFFAOYSA-N
XLogP4.74
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-yl)-7-methylthieno[2,3-b]quinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-7-methylthieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-7-methylthieno[2,3-b]quinoline-2-carboxamide (CID 22434509) is N-(1,3-benzodioxol-5-yl)-7-methylthieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-7-methylthieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-7-methylthieno[2,3-b]quinoline-2-carboxamide is Cc1ccc2cc3cc(C(=O)Nc4ccc5c(c4)OCO5)sc3nc2c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-7-methylthieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is PDCBJRSMNNZZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3S/c1-11-2-3-12-7-13-8-18(26-20(13)22-15(12)6-11)19(23)21-14-4-5-16-17(9-14)25-10-24-16/h2-9H,10H2,1H3,(H,21,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-7-methylthieno[2,3-b]quinoline-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-7-methylthieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-7-methylthieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 22434509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).