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

C19H26N2O2 — CID 13136978

IUPAC3-[2-[ethyl(methyl)amino]propyl]-8-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
SMILESCCN(C)C(C)CN1CCc2c(c(=O)oc3cc(C)ccc23)C1
InChIInChI=1S/C19H26N2O2/c1-5-20(4)14(3)11-21-9-8-15-16-7-6-13(2)10-18(16)23-19(22)17(15)12-21/h6-7,10,14H,5,8-9,11-12H2,1-4H3
InChIKeyHVVWUWQWZONEDI-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.80
Rot. Bonds4

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

3-[2-[ethyl(methyl)amino]propyl]-8-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one (PubChem CID 13136978) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-[2-[ethyl(methyl)amino]propyl]-8-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one.

Molecular Properties

Compound Name3-[2-[ethyl(methyl)amino]propyl]-8-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
PubChem CID13136978
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name3-[2-[ethyl(methyl)amino]propyl]-8-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
SMILESCCN(C)C(C)CN1CCc2c(c(=O)oc3cc(C)ccc23)C1
InChIInChI=1S/C19H26N2O2/c1-5-20(4)14(3)11-21-9-8-15-16-7-6-13(2)10-18(16)23-19(22)17(15)12-21/h6-7,10,14H,5,8-9,11-12H2,1-4H3
InChIKeyHVVWUWQWZONEDI-UHFFFAOYSA-N
XLogP2.80
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[ethyl(methyl)amino]propyl]-8-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The IUPAC name of 3-[2-[ethyl(methyl)amino]propyl]-8-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one (CID 13136978) is 3-[2-[ethyl(methyl)amino]propyl]-8-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one.
What is the SMILES notation for 3-[2-[ethyl(methyl)amino]propyl]-8-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The canonical SMILES for 3-[2-[ethyl(methyl)amino]propyl]-8-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one is CCN(C)C(C)CN1CCc2c(c(=O)oc3cc(C)ccc23)C1.
What is the InChIKey of 3-[2-[ethyl(methyl)amino]propyl]-8-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The InChIKey is HVVWUWQWZONEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-5-20(4)14(3)11-21-9-8-15-16-7-6-13(2)10-18(16)23-19(22)17(15)12-21/h6-7,10,14H,5,8-9,11-12H2,1-4H3.
What are the key properties of 3-[2-[ethyl(methyl)amino]propyl]-8-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
3-[2-[ethyl(methyl)amino]propyl]-8-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one has a molecular weight of 314.43 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[ethyl(methyl)amino]propyl]-8-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one is sourced from PubChem (CID 13136978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).