6-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]indole-7,8-dione

C24H22N2O5 — CID 9318515

IUPAC6-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]indole-7,8-dione
SMILESCOc1ccc2cc(CN(C)CN3C(=O)C(=O)c4cc5c(cc43)OCCO5)ccc2c1
InChIInChI=1S/C24H22N2O5/c1-25(13-15-3-4-17-10-18(29-2)6-5-16(17)9-15)14-26-20-12-22-21(30-7-8-31-22)11-19(20)23(27)24(26)28/h3-6,9-12H,7-8,13-14H2,1-2H3
InChIKeyGHBWCZBDYOQDEF-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.24
Rot. Bonds5

About 6-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]indole-7,8-dione

6-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]indole-7,8-dione (PubChem CID 9318515) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is 6-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]indole-7,8-dione.

Molecular Properties

Compound Name6-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]indole-7,8-dione
PubChem CID9318515
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name6-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]indole-7,8-dione
SMILESCOc1ccc2cc(CN(C)CN3C(=O)C(=O)c4cc5c(cc43)OCCO5)ccc2c1
InChIInChI=1S/C24H22N2O5/c1-25(13-15-3-4-17-10-18(29-2)6-5-16(17)9-15)14-26-20-12-22-21(30-7-8-31-22)11-19(20)23(27)24(26)28/h3-6,9-12H,7-8,13-14H2,1-2H3
InChIKeyGHBWCZBDYOQDEF-UHFFFAOYSA-N
XLogP3.24
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

6-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]indole-7,8-dione
CID 31582782
1-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-6-methoxyindole-2,3-dione
CID 32773430
3-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one
CID 9318404
(3aS,7aS)-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 11918745
1-[[bis(2-methylpropyl)amino]methyl]-6-methoxyindole-2,3-dione
CID 52579710
1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-ethylindole-2,3-dione
CID 9234654
ethane;1-(6-methoxynaphthalen-2-yl)-N,N-dimethylmethanamine
CID 142950158
(5-ethyl-2,3-dioxoindol-1-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9318556
3-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-5-methyl-1,3,4-thiadiazole-2-thione
CID 9318489
7-methoxy-4-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]chromen-2-one
CID 9054180
1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-methylindole-2,3-dione
CID 9234389
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(4-methoxyphenyl)acetamide
CID 31379973

Frequently Asked Questions

What is the IUPAC name of 6-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]indole-7,8-dione?
The IUPAC name of 6-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]indole-7,8-dione (CID 9318515) is 6-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]indole-7,8-dione.
What is the SMILES notation for 6-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]indole-7,8-dione?
The canonical SMILES for 6-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]indole-7,8-dione is COc1ccc2cc(CN(C)CN3C(=O)C(=O)c4cc5c(cc43)OCCO5)ccc2c1.
What is the InChIKey of 6-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]indole-7,8-dione?
The InChIKey is GHBWCZBDYOQDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-25(13-15-3-4-17-10-18(29-2)6-5-16(17)9-15)14-26-20-12-22-21(30-7-8-31-22)11-19(20)23(27)24(26)28/h3-6,9-12H,7-8,13-14H2,1-2H3.
What are the key properties of 6-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]indole-7,8-dione?
6-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]indole-7,8-dione has a molecular weight of 418.45 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]indole-7,8-dione is sourced from PubChem (CID 9318515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).