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

C22H26N2O5 — CID 75280616

IUPACN-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-8-methoxy-2-oxochromene-3-carboxamide
SMILESCCC1CC(=O)NC2CC(NC(=O)c3cc4cccc(OC)c4oc3=O)CCC12
InChIInChI=1S/C22H26N2O5/c1-3-12-10-19(25)24-17-11-14(7-8-15(12)17)23-21(26)16-9-13-5-4-6-18(28-2)20(13)29-22(16)27/h4-6,9,12,14-15,17H,3,7-8,10-11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeySAVYGVRQSCICSY-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.61
Rot. Bonds4

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

N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-8-methoxy-2-oxochromene-3-carboxamide (PubChem CID 75280616) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-8-methoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-8-methoxy-2-oxochromene-3-carboxamide
PubChem CID75280616
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC NameN-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-8-methoxy-2-oxochromene-3-carboxamide
SMILESCCC1CC(=O)NC2CC(NC(=O)c3cc4cccc(OC)c4oc3=O)CCC12
InChIInChI=1S/C22H26N2O5/c1-3-12-10-19(25)24-17-11-14(7-8-15(12)17)23-21(26)16-9-13-5-4-6-18(28-2)20(13)29-22(16)27/h4-6,9,12,14-15,17H,3,7-8,10-11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeySAVYGVRQSCICSY-UHFFFAOYSA-N
XLogP2.61
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-8-methoxy-2-oxochromene-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

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
N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-7-methoxy-1-benzofuran-2-carboxamide
CID 75280400
N-(2,6-dioxopiperidin-3-yl)-8-methoxy-2-oxochromene-3-carboxamide
CID 146129250
2-bromo-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75280483
N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-3-fluorobenzamide
CID 75280478
N-(2,6-diethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 7470756
2,4-difluoro-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]benzamide
CID 75280077
2-fluoro-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]benzamide
CID 75279987
N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 708002
2-methyl-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75278967
N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 75280125
N-[2-(4-fluorophenyl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 26795926

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-8-methoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-8-methoxy-2-oxochromene-3-carboxamide (CID 75280616) is N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-8-methoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-8-methoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-8-methoxy-2-oxochromene-3-carboxamide is CCC1CC(=O)NC2CC(NC(=O)c3cc4cccc(OC)c4oc3=O)CCC12.
What is the InChIKey of N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-8-methoxy-2-oxochromene-3-carboxamide?
The InChIKey is SAVYGVRQSCICSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-3-12-10-19(25)24-17-11-14(7-8-15(12)17)23-21(26)16-9-13-5-4-6-18(28-2)20(13)29-22(16)27/h4-6,9,12,14-15,17H,3,7-8,10-11H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-8-methoxy-2-oxochromene-3-carboxamide?
N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-8-methoxy-2-oxochromene-3-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-8-methoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 75280616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).