3,4,5-trimethoxy-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide

C28H27N3O7 — CID 3194337

IUPAC3,4,5-trimethoxy-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1cc(C(=O)N(Cc2cccnc2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc(OC)c1OC
InChIInChI=1S/C28H27N3O7/c1-34-24-11-19(12-25(35-2)26(24)36-3)28(33)31(15-17-5-4-6-29-14-17)16-20-9-18-10-22-23(38-8-7-37-22)13-21(18)30-27(20)32/h4-6,9-14H,7-8,15-16H2,1-3H3,(H,30,32)
InChIKeyKXWJLIDQNDPDDL-UHFFFAOYSA-N
MW517.54 g/mol
LogP3.56
Rot. Bonds8

About 3,4,5-trimethoxy-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide

3,4,5-trimethoxy-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 3194337) has the molecular formula C28H27N3O7 and a molecular weight of 517.54 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID3194337
Molecular FormulaC28H27N3O7
Molecular Weight517.54 g/mol
Exact Mass517.18
IUPAC Name3,4,5-trimethoxy-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1cc(C(=O)N(Cc2cccnc2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc(OC)c1OC
InChIInChI=1S/C28H27N3O7/c1-34-24-11-19(12-25(35-2)26(24)36-3)28(33)31(15-17-5-4-6-29-14-17)16-20-9-18-10-22-23(38-8-7-37-22)13-21(18)30-27(20)32/h4-6,9-14H,7-8,15-16H2,1-3H3,(H,30,32)
InChIKeyKXWJLIDQNDPDDL-UHFFFAOYSA-N
XLogP3.56
TPSA112.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.54
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3,4,5-trimethoxy-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide 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 3,4,5-trimethoxy-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide (CID 3194337) is 3,4,5-trimethoxy-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide is COc1cc(C(=O)N(Cc2cccnc2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is KXWJLIDQNDPDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O7/c1-34-24-11-19(12-25(35-2)26(24)36-3)28(33)31(15-17-5-4-6-29-14-17)16-20-9-18-10-22-23(38-8-7-37-22)13-21(18)30-27(20)32/h4-6,9-14H,7-8,15-16H2,1-3H3,(H,30,32).
What are the key properties of 3,4,5-trimethoxy-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
3,4,5-trimethoxy-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 517.54 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 3194337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).