N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-methoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]acetamide

C28H24N2O7 — CID 2135368

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-methoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]acetamide
SMILESCOc1ccc(C(=O)c2cn(CC(=O)Nc3ccc4c(c3)OCCO4)c3ccc(OC)cc3c2=O)cc1
InChIInChI=1S/C28H24N2O7/c1-34-19-6-3-17(4-7-19)27(32)22-15-30(23-9-8-20(35-2)14-21(23)28(22)33)16-26(31)29-18-5-10-24-25(13-18)37-12-11-36-24/h3-10,13-15H,11-12,16H2,1-2H3,(H,29,31)
InChIKeyPGSFCIPMCYXAMN-UHFFFAOYSA-N
MW500.51 g/mol
LogP3.66
Rot. Bonds7

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-methoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-methoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]acetamide (PubChem CID 2135368) has the molecular formula C28H24N2O7 and a molecular weight of 500.51 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-methoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-methoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]acetamide
PubChem CID2135368
Molecular FormulaC28H24N2O7
Molecular Weight500.51 g/mol
Exact Mass500.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-methoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]acetamide
SMILESCOc1ccc(C(=O)c2cn(CC(=O)Nc3ccc4c(c3)OCCO4)c3ccc(OC)cc3c2=O)cc1
InChIInChI=1S/C28H24N2O7/c1-34-19-6-3-17(4-7-19)27(32)22-15-30(23-9-8-20(35-2)14-21(23)28(22)33)16-26(31)29-18-5-10-24-25(13-18)37-12-11-36-24/h3-10,13-15H,11-12,16H2,1-2H3,(H,29,31)
InChIKeyPGSFCIPMCYXAMN-UHFFFAOYSA-N
XLogP3.66
TPSA105.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.51
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-methoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-methoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]acetamide (CID 2135368) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-methoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-methoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-methoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]acetamide is COc1ccc(C(=O)c2cn(CC(=O)Nc3ccc4c(c3)OCCO4)c3ccc(OC)cc3c2=O)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-methoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]acetamide?
The InChIKey is PGSFCIPMCYXAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O7/c1-34-19-6-3-17(4-7-19)27(32)22-15-30(23-9-8-20(35-2)14-21(23)28(22)33)16-26(31)29-18-5-10-24-25(13-18)37-12-11-36-24/h3-10,13-15H,11-12,16H2,1-2H3,(H,29,31).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-methoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-methoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]acetamide has a molecular weight of 500.51 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-methoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]acetamide is sourced from PubChem (CID 2135368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).