benzyl 7-ethyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate

C23H19NO4 — CID 7747356

IUPACbenzyl 7-ethyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
SMILESCCc1ccc2oc3nc(C)c(C(=O)OCc4ccccc4)cc3c(=O)c2c1
InChIInChI=1S/C23H19NO4/c1-3-15-9-10-20-18(11-15)21(25)19-12-17(14(2)24-22(19)28-20)23(26)27-13-16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3
InChIKeyIZKAXXIQIVXYRF-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.57
Rot. Bonds4

About benzyl 7-ethyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate

benzyl 7-ethyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate (PubChem CID 7747356) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is benzyl 7-ethyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 7-ethyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
PubChem CID7747356
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Namebenzyl 7-ethyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
SMILESCCc1ccc2oc3nc(C)c(C(=O)OCc4ccccc4)cc3c(=O)c2c1
InChIInChI=1S/C23H19NO4/c1-3-15-9-10-20-18(11-15)21(25)19-12-17(14(2)24-22(19)28-20)23(26)27-13-16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3
InChIKeyIZKAXXIQIVXYRF-UHFFFAOYSA-N
XLogP4.57
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-ethoxycarbonyl-7-ethyl-5-oxochromeno[2,3-b]pyridin-2-yl)acetic acid
CID 70514893
ethyl 2-amino-7-(3,3-dimethylbutyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 130276879
disodium;2-(carboxylatomethyl)-7-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 13335329
7-chloro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
CID 3780301
propan-2-yl 7-chloro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 7747297
ethyl 2-amino-7-bromo-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 12540577
ethyl 2-(1-ethoxy-1-oxopropan-2-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 161065299
methyl 7-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 12689284
ethyl 2-amino-7-cyclohexyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 130275109
benzyl 6-methyl-2-oxopyran-3-carboxylate
CID 53355201
benzyl 4,5-dimethyl-1,3-oxazole-2-carboxylate
CID 134511513
N-tert-butyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide
CID 1475298

Frequently Asked Questions

What is the IUPAC name of benzyl 7-ethyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate?
The IUPAC name of benzyl 7-ethyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate (CID 7747356) is benzyl 7-ethyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate.
What is the SMILES notation for benzyl 7-ethyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate?
The canonical SMILES for benzyl 7-ethyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate is CCc1ccc2oc3nc(C)c(C(=O)OCc4ccccc4)cc3c(=O)c2c1.
What is the InChIKey of benzyl 7-ethyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate?
The InChIKey is IZKAXXIQIVXYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c1-3-15-9-10-20-18(11-15)21(25)19-12-17(14(2)24-22(19)28-20)23(26)27-13-16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3.
What are the key properties of benzyl 7-ethyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate?
benzyl 7-ethyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate has a molecular weight of 373.41 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 7-ethyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 7747356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).