8-methoxy-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-oxochromene-3-carboxamide

C22H26N2O6 — CID 75280116

IUPAC8-methoxy-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-oxochromene-3-carboxamide
SMILESCOCC1CC(=O)NC2CC(NC(=O)c3cc4cccc(OC)c4oc3=O)CCC12
InChIInChI=1S/C22H26N2O6/c1-28-11-13-9-19(25)24-17-10-14(6-7-15(13)17)23-21(26)16-8-12-4-3-5-18(29-2)20(12)30-22(16)27/h3-5,8,13-15,17H,6-7,9-11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyLNGDMYUCEOIFQX-UHFFFAOYSA-N
MW414.46 g/mol
LogP1.85
Rot. Bonds5

About 8-methoxy-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-oxochromene-3-carboxamide

8-methoxy-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-oxochromene-3-carboxamide (PubChem CID 75280116) has the molecular formula C22H26N2O6 and a molecular weight of 414.46 g/mol. Its IUPAC name is 8-methoxy-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-oxochromene-3-carboxamide
PubChem CID75280116
Molecular FormulaC22H26N2O6
Molecular Weight414.46 g/mol
Exact Mass414.18
IUPAC Name8-methoxy-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-oxochromene-3-carboxamide
SMILESCOCC1CC(=O)NC2CC(NC(=O)c3cc4cccc(OC)c4oc3=O)CCC12
InChIInChI=1S/C22H26N2O6/c1-28-11-13-9-19(25)24-17-10-14(6-7-15(13)17)23-21(26)16-8-12-4-3-5-18(29-2)20(12)30-22(16)27/h3-5,8,13-15,17H,6-7,9-11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyLNGDMYUCEOIFQX-UHFFFAOYSA-N
XLogP1.85
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-oxochromene-3-carboxamide?
The IUPAC name of 8-methoxy-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-oxochromene-3-carboxamide (CID 75280116) is 8-methoxy-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-oxochromene-3-carboxamide?
The canonical SMILES for 8-methoxy-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-oxochromene-3-carboxamide is COCC1CC(=O)NC2CC(NC(=O)c3cc4cccc(OC)c4oc3=O)CCC12.
What is the InChIKey of 8-methoxy-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-oxochromene-3-carboxamide?
The InChIKey is LNGDMYUCEOIFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O6/c1-28-11-13-9-19(25)24-17-10-14(6-7-15(13)17)23-21(26)16-8-12-4-3-5-18(29-2)20(12)30-22(16)27/h3-5,8,13-15,17H,6-7,9-11H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 8-methoxy-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-oxochromene-3-carboxamide?
8-methoxy-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-oxochromene-3-carboxamide has a molecular weight of 414.46 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 75280116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).