ethyl 7-amino-4-oxo-8-propylchromene-2-carboxylate

C15H17NO4 — CID 2801547

IUPACethyl 7-amino-4-oxo-8-propylchromene-2-carboxylate
SMILESCCCc1c(N)ccc2c(=O)cc(C(=O)OCC)oc12
InChIInChI=1S/C15H17NO4/c1-3-5-9-11(16)7-6-10-12(17)8-13(20-14(9)10)15(18)19-4-2/h6-8H,3-5,16H2,1-2H3
InChIKeyKMGOZYUDCZKQGE-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.50
Rot. Bonds4

About ethyl 7-amino-4-oxo-8-propylchromene-2-carboxylate

ethyl 7-amino-4-oxo-8-propylchromene-2-carboxylate (PubChem CID 2801547) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is ethyl 7-amino-4-oxo-8-propylchromene-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-amino-4-oxo-8-propylchromene-2-carboxylate
PubChem CID2801547
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Nameethyl 7-amino-4-oxo-8-propylchromene-2-carboxylate
SMILESCCCc1c(N)ccc2c(=O)cc(C(=O)OCC)oc12
InChIInChI=1S/C15H17NO4/c1-3-5-9-11(16)7-6-10-12(17)8-13(20-14(9)10)15(18)19-4-2/h6-8H,3-5,16H2,1-2H3
InChIKeyKMGOZYUDCZKQGE-UHFFFAOYSA-N
XLogP2.50
TPSA82.53 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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 7-amino-4-oxo-8-propylchromene-2-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 8-bromo-7-hydroxy-4-oxochromene-2-carboxylate
CID 628562
diethyl 6-methoxyimino-4-oxo-10-propylpyrano[3,2-g]chromene-2,8-dicarboxylate
CID 54137318
ethyl 7-hydroxy-4-oxochromene-2-carboxylate
CID 5376802
ethyl 7-ethyl-4-oxochromene-2-carboxylate
CID 22924455
ethyl 7-iodo-4-oxochromene-2-carboxylate
CID 119089265
ethyl 6-amino-7-hydroxy-4-oxochromene-2-carboxylate
CID 5377214
ethyl 4-oxo-8-prop-2-enyl-7-[(2,2,2-trifluoroacetyl)amino]chromene-2-carboxylate
CID 86587734
2-O-ethyl 8-O-methyl 6-(methylamino)-4-oxo-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylate
CID 13352259
ethyl 7-hydroxy-4-oxochromene-2-carboxylate;7-hydroxy-2-(hydroxymethyl)chromen-4-one
CID 160975514
4-oxo-8-propylchromene-2-carboperoxoic acid
CID 88699631
ethyl 8-bromo-6-chloro-4-oxochromene-2-carboxylate
CID 22142188
7-[3-(2-ethoxycarbonyl-4-oxo-8-propylchromen-7-yl)oxypropylsulfanyl]-1-ethyl-4-oxo-8-propylquinoline-2-carboxylic acid
CID 70450942

Frequently Asked Questions

What is the IUPAC name of ethyl 7-amino-4-oxo-8-propylchromene-2-carboxylate?
The IUPAC name of ethyl 7-amino-4-oxo-8-propylchromene-2-carboxylate (CID 2801547) is ethyl 7-amino-4-oxo-8-propylchromene-2-carboxylate.
What is the SMILES notation for ethyl 7-amino-4-oxo-8-propylchromene-2-carboxylate?
The canonical SMILES for ethyl 7-amino-4-oxo-8-propylchromene-2-carboxylate is CCCc1c(N)ccc2c(=O)cc(C(=O)OCC)oc12.
What is the InChIKey of ethyl 7-amino-4-oxo-8-propylchromene-2-carboxylate?
The InChIKey is KMGOZYUDCZKQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-3-5-9-11(16)7-6-10-12(17)8-13(20-14(9)10)15(18)19-4-2/h6-8H,3-5,16H2,1-2H3.
What are the key properties of ethyl 7-amino-4-oxo-8-propylchromene-2-carboxylate?
ethyl 7-amino-4-oxo-8-propylchromene-2-carboxylate has a molecular weight of 275.30 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-amino-4-oxo-8-propylchromene-2-carboxylate is sourced from PubChem (CID 2801547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).