8,9-dimethoxy-3-[2-[methyl(propyl)amino]propyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one

C21H30N2O4 — CID 13136983

IUPAC8,9-dimethoxy-3-[2-[methyl(propyl)amino]propyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
SMILESCCCN(C)C(C)CN1CCc2c(c(=O)oc3cc(OC)c(OC)cc23)C1
InChIInChI=1S/C21H30N2O4/c1-6-8-22(3)14(2)12-23-9-7-15-16-10-19(25-4)20(26-5)11-18(16)27-21(24)17(15)13-23/h10-11,14H,6-9,12-13H2,1-5H3
InChIKeyZZOQPXQYDQKGEB-UHFFFAOYSA-N
MW374.48 g/mol
LogP2.90
Rot. Bonds7

About 8,9-dimethoxy-3-[2-[methyl(propyl)amino]propyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one

8,9-dimethoxy-3-[2-[methyl(propyl)amino]propyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one (PubChem CID 13136983) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 8,9-dimethoxy-3-[2-[methyl(propyl)amino]propyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one.

Molecular Properties

Compound Name8,9-dimethoxy-3-[2-[methyl(propyl)amino]propyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
PubChem CID13136983
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name8,9-dimethoxy-3-[2-[methyl(propyl)amino]propyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
SMILESCCCN(C)C(C)CN1CCc2c(c(=O)oc3cc(OC)c(OC)cc23)C1
InChIInChI=1S/C21H30N2O4/c1-6-8-22(3)14(2)12-23-9-7-15-16-10-19(25-4)20(26-5)11-18(16)27-21(24)17(15)13-23/h10-11,14H,6-9,12-13H2,1-5H3
InChIKeyZZOQPXQYDQKGEB-UHFFFAOYSA-N
XLogP2.90
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8,9-dimethoxy-3-[2-[methyl(propyl)amino]propyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one 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 8,9-dimethoxy-3-[2-[methyl(propyl)amino]propyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The IUPAC name of 8,9-dimethoxy-3-[2-[methyl(propyl)amino]propyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one (CID 13136983) is 8,9-dimethoxy-3-[2-[methyl(propyl)amino]propyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one.
What is the SMILES notation for 8,9-dimethoxy-3-[2-[methyl(propyl)amino]propyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The canonical SMILES for 8,9-dimethoxy-3-[2-[methyl(propyl)amino]propyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one is CCCN(C)C(C)CN1CCc2c(c(=O)oc3cc(OC)c(OC)cc23)C1.
What is the InChIKey of 8,9-dimethoxy-3-[2-[methyl(propyl)amino]propyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The InChIKey is ZZOQPXQYDQKGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-6-8-22(3)14(2)12-23-9-7-15-16-10-19(25-4)20(26-5)11-18(16)27-21(24)17(15)13-23/h10-11,14H,6-9,12-13H2,1-5H3.
What are the key properties of 8,9-dimethoxy-3-[2-[methyl(propyl)amino]propyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
8,9-dimethoxy-3-[2-[methyl(propyl)amino]propyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one has a molecular weight of 374.48 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-3-[2-[methyl(propyl)amino]propyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one is sourced from PubChem (CID 13136983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).