2-morpholin-4-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate

C23H23NO5 — CID 18967

IUPAC2-morpholin-4-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
SMILESCc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCOCC3)cccc2c1=O
InChIInChI=1S/C23H23NO5/c1-16-20(25)18-8-5-9-19(22(18)29-21(16)17-6-3-2-4-7-17)23(26)28-15-12-24-10-13-27-14-11-24/h2-9H,10-15H2,1H3
InChIKeyBFHKLVWZDHRVQW-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.26
Rot. Bonds5

About 2-morpholin-4-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate

2-morpholin-4-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate (PubChem CID 18967) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
PubChem CID18967
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Name2-morpholin-4-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
SMILESCc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCOCC3)cccc2c1=O
InChIInChI=1S/C23H23NO5/c1-16-20(25)18-8-5-9-19(22(18)29-21(16)17-6-3-2-4-7-17)23(26)28-15-12-24-10-13-27-14-11-24/h2-9H,10-15H2,1H3
InChIKeyBFHKLVWZDHRVQW-UHFFFAOYSA-N
XLogP3.26
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-morpholin-4-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-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

3-piperidin-1-ylpropyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 13324430
3-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-oxo-2-phenylchromene-8-carboxamide
CID 60590384
2-piperidin-1-ylethyl 6-bromo-3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride
CID 13336001
3-(2-methylpiperidin-1-yl)propyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride
CID 3070419
2-methylprop-2-enyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 18098557
5-methoxycarbonyl-2,6-dimethyl-4-(3-methyl-4-oxo-2-phenylchromen-8-yl)-1-(2-morpholin-4-ylethyl)-4H-pyridine-3-carboxylic acid
CID 21274419
2-piperidin-1-ium-4-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate chloride
CID 19483
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 7582554
1-piperidin-1-ylpropan-2-yl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 3070435
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 2476564
1-piperidin-1-ylpropan-2-yl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride
CID 3070434
3-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-2-phenylchromene-8-carboxamide
CID 2456791

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate?
The IUPAC name of 2-morpholin-4-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate (CID 18967) is 2-morpholin-4-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate.
What is the SMILES notation for 2-morpholin-4-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate?
The canonical SMILES for 2-morpholin-4-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate is Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCOCC3)cccc2c1=O.
What is the InChIKey of 2-morpholin-4-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate?
The InChIKey is BFHKLVWZDHRVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5/c1-16-20(25)18-8-5-9-19(22(18)29-21(16)17-6-3-2-4-7-17)23(26)28-15-12-24-10-13-27-14-11-24/h2-9H,10-15H2,1H3.
What are the key properties of 2-morpholin-4-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate?
2-morpholin-4-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate has a molecular weight of 393.44 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate is sourced from PubChem (CID 18967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).