7-methyl-4-(2,4,5-trimethoxyphenyl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione

C18H19NO6 — CID 71754929

IUPAC7-methyl-4-(2,4,5-trimethoxyphenyl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
SMILESCOc1cc(OC)c(C2CC(=O)Oc3cc(C)[nH]c(=O)c32)cc1OC
InChIInChI=1S/C18H19NO6/c1-9-5-15-17(18(21)19-9)11(7-16(20)25-15)10-6-13(23-3)14(24-4)8-12(10)22-2/h5-6,8,11H,7H2,1-4H3,(H,19,21)
InChIKeyCSJUDTAXPPOSEV-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.15
Rot. Bonds4

About 7-methyl-4-(2,4,5-trimethoxyphenyl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione

7-methyl-4-(2,4,5-trimethoxyphenyl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 71754929) has the molecular formula C18H19NO6 and a molecular weight of 345.35 g/mol. Its IUPAC name is 7-methyl-4-(2,4,5-trimethoxyphenyl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name7-methyl-4-(2,4,5-trimethoxyphenyl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
PubChem CID71754929
Molecular FormulaC18H19NO6
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name7-methyl-4-(2,4,5-trimethoxyphenyl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
SMILESCOc1cc(OC)c(C2CC(=O)Oc3cc(C)[nH]c(=O)c32)cc1OC
InChIInChI=1S/C18H19NO6/c1-9-5-15-17(18(21)19-9)11(7-16(20)25-15)10-6-13(23-3)14(24-4)8-12(10)22-2/h5-6,8,11H,7H2,1-4H3,(H,19,21)
InChIKeyCSJUDTAXPPOSEV-UHFFFAOYSA-N
XLogP2.15
TPSA86.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-methyl-4-(2,4,5-trimethoxyphenyl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione with MolForge

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Related Compounds

Diethyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate
CID 3793564
2-Methoxyethyl 2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 2848254
Diethyl 2,6-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 323480
Ethyl 7-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 3132430
methyl 2-amino-7-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 3236868
7-(2,5-Dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 6485642
3,6-Diethyl 7-(3-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
CID 6615734
2-amino-6-(3-(diethylamino)propyl)-7-methyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 661955
Ethyl 2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 3060386
Ethyl prop-2-en-1-yl 2,6-dimethyl-4-(2,3,4-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 217744
propyl 7-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 3132537
Propyl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 2847880

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-(2,4,5-trimethoxyphenyl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 7-methyl-4-(2,4,5-trimethoxyphenyl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione (CID 71754929) is 7-methyl-4-(2,4,5-trimethoxyphenyl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 7-methyl-4-(2,4,5-trimethoxyphenyl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 7-methyl-4-(2,4,5-trimethoxyphenyl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione is COc1cc(OC)c(C2CC(=O)Oc3cc(C)[nH]c(=O)c32)cc1OC.
What is the InChIKey of 7-methyl-4-(2,4,5-trimethoxyphenyl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is CSJUDTAXPPOSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6/c1-9-5-15-17(18(21)19-9)11(7-16(20)25-15)10-6-13(23-3)14(24-4)8-12(10)22-2/h5-6,8,11H,7H2,1-4H3,(H,19,21).
What are the key properties of 7-methyl-4-(2,4,5-trimethoxyphenyl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
7-methyl-4-(2,4,5-trimethoxyphenyl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 345.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-(2,4,5-trimethoxyphenyl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 71754929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).