2-ethyl-10-hydroxy-8-pentoxy-1,2,3,4-tetrahydrochromeno[4,3-b]pyridin-5-one

C19H25NO4 — CID 10382035

IUPAC2-ethyl-10-hydroxy-8-pentoxy-1,2,3,4-tetrahydrochromeno[4,3-b]pyridin-5-one
SMILESCCCCCOc1cc(O)c2c3c(c(=O)oc2c1)CCC(CC)N3
InChIInChI=1S/C19H25NO4/c1-3-5-6-9-23-13-10-15(21)17-16(11-13)24-19(22)14-8-7-12(4-2)20-18(14)17/h10-12,20-21H,3-9H2,1-2H3
InChIKeyCOEVCGYKPQEJBJ-UHFFFAOYSA-N
MW331.41 g/mol
LogP4.20
Rot. Bonds6

About 2-ethyl-10-hydroxy-8-pentoxy-1,2,3,4-tetrahydrochromeno[4,3-b]pyridin-5-one

2-ethyl-10-hydroxy-8-pentoxy-1,2,3,4-tetrahydrochromeno[4,3-b]pyridin-5-one (PubChem CID 10382035) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 2-ethyl-10-hydroxy-8-pentoxy-1,2,3,4-tetrahydrochromeno[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name2-ethyl-10-hydroxy-8-pentoxy-1,2,3,4-tetrahydrochromeno[4,3-b]pyridin-5-one
PubChem CID10382035
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name2-ethyl-10-hydroxy-8-pentoxy-1,2,3,4-tetrahydrochromeno[4,3-b]pyridin-5-one
SMILESCCCCCOc1cc(O)c2c3c(c(=O)oc2c1)CCC(CC)N3
InChIInChI=1S/C19H25NO4/c1-3-5-6-9-23-13-10-15(21)17-16(11-13)24-19(22)14-8-7-12(4-2)20-18(14)17/h10-12,20-21H,3-9H2,1-2H3
InChIKeyCOEVCGYKPQEJBJ-UHFFFAOYSA-N
XLogP4.20
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-10-hydroxy-8-pentoxy-1,2,3,4-tetrahydrochromeno[4,3-b]pyridin-5-one?
The IUPAC name of 2-ethyl-10-hydroxy-8-pentoxy-1,2,3,4-tetrahydrochromeno[4,3-b]pyridin-5-one (CID 10382035) is 2-ethyl-10-hydroxy-8-pentoxy-1,2,3,4-tetrahydrochromeno[4,3-b]pyridin-5-one.
What is the SMILES notation for 2-ethyl-10-hydroxy-8-pentoxy-1,2,3,4-tetrahydrochromeno[4,3-b]pyridin-5-one?
The canonical SMILES for 2-ethyl-10-hydroxy-8-pentoxy-1,2,3,4-tetrahydrochromeno[4,3-b]pyridin-5-one is CCCCCOc1cc(O)c2c3c(c(=O)oc2c1)CCC(CC)N3.
What is the InChIKey of 2-ethyl-10-hydroxy-8-pentoxy-1,2,3,4-tetrahydrochromeno[4,3-b]pyridin-5-one?
The InChIKey is COEVCGYKPQEJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-3-5-6-9-23-13-10-15(21)17-16(11-13)24-19(22)14-8-7-12(4-2)20-18(14)17/h10-12,20-21H,3-9H2,1-2H3.
What are the key properties of 2-ethyl-10-hydroxy-8-pentoxy-1,2,3,4-tetrahydrochromeno[4,3-b]pyridin-5-one?
2-ethyl-10-hydroxy-8-pentoxy-1,2,3,4-tetrahydrochromeno[4,3-b]pyridin-5-one has a molecular weight of 331.41 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-10-hydroxy-8-pentoxy-1,2,3,4-tetrahydrochromeno[4,3-b]pyridin-5-one is sourced from PubChem (CID 10382035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).