8-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

C24H22N6O4S — CID 651216

IUPAC8-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESO=c1[nH]c2cc3c(cc2cc1CN(Cc1cccs1)Cc1nnnn1Cc1ccco1)OCCO3
InChIInChI=1S/C24H22N6O4S/c31-24-17(9-16-10-21-22(11-20(16)25-24)34-7-6-33-21)12-29(14-19-4-2-8-35-19)15-23-26-27-28-30(23)13-18-3-1-5-32-18/h1-5,8-11H,6-7,12-15H2,(H,25,31)
InChIKeyFYYBXJGSTKVGLM-UHFFFAOYSA-N
MW490.55 g/mol
LogP3.19
Rot. Bonds8

About 8-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

8-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (PubChem CID 651216) has the molecular formula C24H22N6O4S and a molecular weight of 490.55 g/mol. Its IUPAC name is 8-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.

Molecular Properties

Compound Name8-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
PubChem CID651216
Molecular FormulaC24H22N6O4S
Molecular Weight490.55 g/mol
Exact Mass490.14
IUPAC Name8-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESO=c1[nH]c2cc3c(cc2cc1CN(Cc1cccs1)Cc1nnnn1Cc1ccco1)OCCO3
InChIInChI=1S/C24H22N6O4S/c31-24-17(9-16-10-21-22(11-20(16)25-24)34-7-6-33-21)12-29(14-19-4-2-8-35-19)15-23-26-27-28-30(23)13-18-3-1-5-32-18/h1-5,8-11H,6-7,12-15H2,(H,25,31)
InChIKeyFYYBXJGSTKVGLM-UHFFFAOYSA-N
XLogP3.19
TPSA111.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.55
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 8-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one 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

7-[[furan-2-ylmethyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 645377
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-(4-furan-2-ylmethyl-5-p-tolyloxymethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 647227
3-{(Furan-2-ylmethyl-thiophen-2-ylmethyl-amino)-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-methyl}-7-methyl-1H-quinolin-2-one
CID 649438
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1034375
8-{[(1-Furan-2-ylmethyl-1H-tetrazol-5-ylmethyl)-(4-methyl-benzyl)-amino]-methyl}-2,3-dihydro-6H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1464396
8-{[(1-Furan-2-ylmethyl-1H-tetrazol-5-ylmethyl)-(2-methoxy-benzyl)-amino]-methyl}-2,3-dihydro-6H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1464427
3-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(furan-2-ylmethyl-thiophen-2-ylmethyl-amino)-methyl]-7-methyl-1H-quinolin-2-one
CID 3187283
7-[({1-[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-2-methyl-propyl}-furan-2-ylmethyl-amino)-methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 3204316
7-({Furan-2-ylmethyl-[1-(2-methoxy-ethyl)-1H-tetrazol-5-ylmethyl]-amino}-methyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 3213030
7-{[(1-tert-Butyl-1H-tetrazol-5-ylmethyl)-furan-2-ylmethyl-amino]-methyl}-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 648222
3-{[Cyclohexyl-(1-furan-2-ylmethyl-1H-tetrazol-5-ylmethyl)-amino]-methyl}-6,7-dimethoxy-1H-quinolin-2-one
CID 652790
8-{[Benzyl-(1-furan-2-ylmethyl-1H-tetrazol-5-ylmethyl)-amino]-methyl}-2,3-dihydro-6H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 655908

Frequently Asked Questions

What is the IUPAC name of 8-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The IUPAC name of 8-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (CID 651216) is 8-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.
What is the SMILES notation for 8-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The canonical SMILES for 8-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is O=c1[nH]c2cc3c(cc2cc1CN(Cc1cccs1)Cc1nnnn1Cc1ccco1)OCCO3.
What is the InChIKey of 8-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The InChIKey is FYYBXJGSTKVGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O4S/c31-24-17(9-16-10-21-22(11-20(16)25-24)34-7-6-33-21)12-29(14-19-4-2-8-35-19)15-23-26-27-28-30(23)13-18-3-1-5-32-18/h1-5,8-11H,6-7,12-15H2,(H,25,31).
What are the key properties of 8-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
8-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one has a molecular weight of 490.55 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is sourced from PubChem (CID 651216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).