ethyl 7-(ethylamino)-6-methyl-2-oxochromene-3-carboxylate

C15H17NO4 — CID 12792494

IUPACethyl 7-(ethylamino)-6-methyl-2-oxochromene-3-carboxylate
SMILESCCNc1cc2oc(=O)c(C(=O)OCC)cc2cc1C
InChIInChI=1S/C15H17NO4/c1-4-16-12-8-13-10(6-9(12)3)7-11(15(18)20-13)14(17)19-5-2/h6-8,16H,4-5H2,1-3H3
InChIKeyVODQWCRYGRIQRC-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.71
Rot. Bonds4

About ethyl 7-(ethylamino)-6-methyl-2-oxochromene-3-carboxylate

ethyl 7-(ethylamino)-6-methyl-2-oxochromene-3-carboxylate (PubChem CID 12792494) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is ethyl 7-(ethylamino)-6-methyl-2-oxochromene-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-(ethylamino)-6-methyl-2-oxochromene-3-carboxylate
PubChem CID12792494
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Nameethyl 7-(ethylamino)-6-methyl-2-oxochromene-3-carboxylate
SMILESCCNc1cc2oc(=O)c(C(=O)OCC)cc2cc1C
InChIInChI=1S/C15H17NO4/c1-4-16-12-8-13-10(6-9(12)3)7-11(15(18)20-13)14(17)19-5-2/h6-8,16H,4-5H2,1-3H3
InChIKeyVODQWCRYGRIQRC-UHFFFAOYSA-N
XLogP2.71
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 7-(ethylamino)-6-methyl-2-oxochromene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 6-bromo-2-oxochromene-3-carboxylate
CID 691747
ethyl 7-(4-methylphenyl)-2-oxochromene-3-carboxylate
CID 50994673
ethyl 7-acetyloxy-2-oxochromene-3-carboxylate
CID 688600
ethyl 7-nitro-2-oxochromene-3-carboxylate
CID 3027556
ethyl 2-oxo-6-(trifluoromethoxy)chromene-3-carboxylate
CID 10335058
ethyl 7-hydroxy-5-methyl-2-oxochromene-3-carboxylate
CID 23085530
ethyl 6,8,8,9-tetramethyl-2-oxopyrano[3,2-g]quinoline-3-carboxylate
CID 118986596
ethyl 2-oxo-6-pyrimidin-5-ylchromene-3-carboxylate
CID 46229575
ethyl 6-[(4-chlorophenyl)diazenyl]-2-oxochromene-3-carboxylate
CID 132538049
ethyl 7-(3-chloropropoxy)-2-oxochromene-3-carboxylate
CID 168865434
ethyl 6-chloro-2-oxo-7-phenylmethoxychromene-3-carboxylate
CID 46838320
ethyl 7-(1-benzofuran-2-carbonyloxy)-2-oxochromene-3-carboxylate
CID 19189332

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(ethylamino)-6-methyl-2-oxochromene-3-carboxylate?
The IUPAC name of ethyl 7-(ethylamino)-6-methyl-2-oxochromene-3-carboxylate (CID 12792494) is ethyl 7-(ethylamino)-6-methyl-2-oxochromene-3-carboxylate.
What is the SMILES notation for ethyl 7-(ethylamino)-6-methyl-2-oxochromene-3-carboxylate?
The canonical SMILES for ethyl 7-(ethylamino)-6-methyl-2-oxochromene-3-carboxylate is CCNc1cc2oc(=O)c(C(=O)OCC)cc2cc1C.
What is the InChIKey of ethyl 7-(ethylamino)-6-methyl-2-oxochromene-3-carboxylate?
The InChIKey is VODQWCRYGRIQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-4-16-12-8-13-10(6-9(12)3)7-11(15(18)20-13)14(17)19-5-2/h6-8,16H,4-5H2,1-3H3.
What are the key properties of ethyl 7-(ethylamino)-6-methyl-2-oxochromene-3-carboxylate?
ethyl 7-(ethylamino)-6-methyl-2-oxochromene-3-carboxylate has a molecular weight of 275.30 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(ethylamino)-6-methyl-2-oxochromene-3-carboxylate is sourced from PubChem (CID 12792494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).