8-heptyl-10-hydroxy-3-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one

C20H27NO3 — CID 6146182

IUPAC8-heptyl-10-hydroxy-3-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
SMILESCCCCCCCc1cc(O)c2c3c(c(=O)oc2c1)CN(C)CC3
InChIInChI=1S/C20H27NO3/c1-3-4-5-6-7-8-14-11-17(22)19-15-9-10-21(2)13-16(15)20(23)24-18(19)12-14/h11-12,22H,3-10,13H2,1-2H3
InChIKeyPAKMYJAVBFEPKM-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.00
Rot. Bonds6

About 8-heptyl-10-hydroxy-3-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one

8-heptyl-10-hydroxy-3-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one (PubChem CID 6146182) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 8-heptyl-10-hydroxy-3-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one.

Molecular Properties

Compound Name8-heptyl-10-hydroxy-3-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
PubChem CID6146182
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name8-heptyl-10-hydroxy-3-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
SMILESCCCCCCCc1cc(O)c2c3c(c(=O)oc2c1)CN(C)CC3
InChIInChI=1S/C20H27NO3/c1-3-4-5-6-7-8-14-11-17(22)19-15-9-10-21(2)13-16(15)20(23)24-18(19)12-14/h11-12,22H,3-10,13H2,1-2H3
InChIKeyPAKMYJAVBFEPKM-UHFFFAOYSA-N
XLogP4.00
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-heptyl-10-hydroxy-3-methyl-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-heptyl-10-hydroxy-3-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The IUPAC name of 8-heptyl-10-hydroxy-3-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one (CID 6146182) is 8-heptyl-10-hydroxy-3-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one.
What is the SMILES notation for 8-heptyl-10-hydroxy-3-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The canonical SMILES for 8-heptyl-10-hydroxy-3-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one is CCCCCCCc1cc(O)c2c3c(c(=O)oc2c1)CN(C)CC3.
What is the InChIKey of 8-heptyl-10-hydroxy-3-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The InChIKey is PAKMYJAVBFEPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-3-4-5-6-7-8-14-11-17(22)19-15-9-10-21(2)13-16(15)20(23)24-18(19)12-14/h11-12,22H,3-10,13H2,1-2H3.
What are the key properties of 8-heptyl-10-hydroxy-3-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
8-heptyl-10-hydroxy-3-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one has a molecular weight of 329.44 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-heptyl-10-hydroxy-3-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one is sourced from PubChem (CID 6146182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).