2-chloro-9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione

C20H17ClN2O2S — CID 118553564

IUPAC2-chloro-9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione
SMILESCC(C)c1cc2c(c(=O)c3cc(Cl)sc3n2C)c(=O)n1-c1ccccc1
InChIInChI=1S/C20H17ClN2O2S/c1-11(2)14-10-15-17(19(25)23(14)12-7-5-4-6-8-12)18(24)13-9-16(21)26-20(13)22(15)3/h4-11H,1-3H3
InChIKeyAFVCZAYYSATDNP-UHFFFAOYSA-N
MW384.89 g/mol
LogP4.68
Rot. Bonds2

About 2-chloro-9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione

2-chloro-9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione (PubChem CID 118553564) has the molecular formula C20H17ClN2O2S and a molecular weight of 384.89 g/mol. Its IUPAC name is 2-chloro-9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione.

Molecular Properties

Compound Name2-chloro-9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione
PubChem CID118553564
Molecular FormulaC20H17ClN2O2S
Molecular Weight384.89 g/mol
Exact Mass384.07
IUPAC Name2-chloro-9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione
SMILESCC(C)c1cc2c(c(=O)c3cc(Cl)sc3n2C)c(=O)n1-c1ccccc1
InChIInChI=1S/C20H17ClN2O2S/c1-11(2)14-10-15-17(19(25)23(14)12-7-5-4-6-8-12)18(24)13-9-16(21)26-20(13)22(15)3/h4-11H,1-3H3
InChIKeyAFVCZAYYSATDNP-UHFFFAOYSA-N
XLogP4.68
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-chloro-9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione with MolForge

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

Launch Full Analysis

Related Compounds

9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione
CID 118539694
8-fluoro-5-methyl-2-phenyl-3-propan-2-ylbenzo[b][1,6]naphthyridine-1,10-dione
CID 118539765
3,4-dimethyl-7-phenyl-6-propan-2-ylthieno[3,4-b][1,6]naphthyridine-8,9-dione
CID 118553550
8-chloro-3-cyclobutyl-5-methyl-2-phenylbenzo[b][1,6]naphthyridine-1,10-dione
CID 118539667
3-methyl-7-phenyl-6-propan-2-yl-4H-thieno[3,4-b][1,6]naphthyridine-8,9-dione
CID 118553545
3-methyl-6-phenyl-7-propan-2-yl-9H-thieno[2,3-b][1,6]naphthyridine-4,5-dione
CID 118539698
4,11-diamino-2-phenylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone;ethane;2-methylpropane
CID 158072742
10-(2-methylpropyl)-3-phenyl-2-propan-2-ylpyrimido[4,5-b]quinoline-4,5-dione
CID 118523629
1-methyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione
CID 679510
4-amino-1-phenyl-6-propan-2-ylpyridin-2-one
CID 105485847
3-[(1S)-1-aminoethyl]-8-hydroxy-2-phenylisoquinolin-1-one
CID 71273824
3-[(1R)-1-aminoethyl]sulfanyl-8-chloro-2-phenylisoquinolin-1-one
CID 144717299

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione?
The IUPAC name of 2-chloro-9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione (CID 118553564) is 2-chloro-9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione.
What is the SMILES notation for 2-chloro-9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione?
The canonical SMILES for 2-chloro-9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione is CC(C)c1cc2c(c(=O)c3cc(Cl)sc3n2C)c(=O)n1-c1ccccc1.
What is the InChIKey of 2-chloro-9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione?
The InChIKey is AFVCZAYYSATDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2S/c1-11(2)14-10-15-17(19(25)23(14)12-7-5-4-6-8-12)18(24)13-9-16(21)26-20(13)22(15)3/h4-11H,1-3H3.
What are the key properties of 2-chloro-9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione?
2-chloro-9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione has a molecular weight of 384.89 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione is sourced from PubChem (CID 118553564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).