(4-ethyl-2-oxochromen-7-yl) 6-methylpyridine-3-carboxylate

C18H15NO4 — CID 18149004

IUPAC(4-ethyl-2-oxochromen-7-yl) 6-methylpyridine-3-carboxylate
SMILESCCc1cc(=O)oc2cc(OC(=O)c3ccc(C)nc3)ccc12
InChIInChI=1S/C18H15NO4/c1-3-12-8-17(20)23-16-9-14(6-7-15(12)16)22-18(21)13-5-4-11(2)19-10-13/h4-10H,3H2,1-2H3
InChIKeyDAPAFQGCTFDVDQ-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.28
Rot. Bonds3

About (4-ethyl-2-oxochromen-7-yl) 6-methylpyridine-3-carboxylate

(4-ethyl-2-oxochromen-7-yl) 6-methylpyridine-3-carboxylate (PubChem CID 18149004) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is (4-ethyl-2-oxochromen-7-yl) 6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Name(4-ethyl-2-oxochromen-7-yl) 6-methylpyridine-3-carboxylate
PubChem CID18149004
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name(4-ethyl-2-oxochromen-7-yl) 6-methylpyridine-3-carboxylate
SMILESCCc1cc(=O)oc2cc(OC(=O)c3ccc(C)nc3)ccc12
InChIInChI=1S/C18H15NO4/c1-3-12-8-17(20)23-16-9-14(6-7-15(12)16)22-18(21)13-5-4-11(2)19-10-13/h4-10H,3H2,1-2H3
InChIKeyDAPAFQGCTFDVDQ-UHFFFAOYSA-N
XLogP3.28
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-ethyl-2-oxochromen-7-yl) 3,4-dichlorobenzoate
CID 7925911
(4-ethyl-2-oxochromen-7-yl) 3,5-difluorobenzoate
CID 8879773
(4-ethyl-2-oxochromen-7-yl) pyrazine-2-carboxylate
CID 18077800
(2-oxo-4-propylchromen-7-yl) 5,6-dichloropyridine-3-carboxylate
CID 7750795
(4-methyl-2-oxochromen-7-yl) 4-ethoxybenzoate
CID 836179
(2-oxo-4-propylchromen-7-yl) 4-fluorobenzoate
CID 7923721
(4-ethyl-2-oxochromen-7-yl) 3-nitrobenzoate
CID 7925901
[4-(hydroxymethyl)-2-oxochromen-7-yl] benzoate
CID 132502490
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2695574
4-ethyl-7-prop-2-enoxychromen-2-one
CID 20566397
(2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N,N,3-trimethylbutanamide
CID 124883071
(4-ethyl-2-oxochromen-7-yl) 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7925896

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-oxochromen-7-yl) 6-methylpyridine-3-carboxylate?
The IUPAC name of (4-ethyl-2-oxochromen-7-yl) 6-methylpyridine-3-carboxylate (CID 18149004) is (4-ethyl-2-oxochromen-7-yl) 6-methylpyridine-3-carboxylate.
What is the SMILES notation for (4-ethyl-2-oxochromen-7-yl) 6-methylpyridine-3-carboxylate?
The canonical SMILES for (4-ethyl-2-oxochromen-7-yl) 6-methylpyridine-3-carboxylate is CCc1cc(=O)oc2cc(OC(=O)c3ccc(C)nc3)ccc12.
What is the InChIKey of (4-ethyl-2-oxochromen-7-yl) 6-methylpyridine-3-carboxylate?
The InChIKey is DAPAFQGCTFDVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-3-12-8-17(20)23-16-9-14(6-7-15(12)16)22-18(21)13-5-4-11(2)19-10-13/h4-10H,3H2,1-2H3.
What are the key properties of (4-ethyl-2-oxochromen-7-yl) 6-methylpyridine-3-carboxylate?
(4-ethyl-2-oxochromen-7-yl) 6-methylpyridine-3-carboxylate has a molecular weight of 309.32 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-oxochromen-7-yl) 6-methylpyridine-3-carboxylate is sourced from PubChem (CID 18149004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).