8-methyl-7-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]-4-propylchromen-2-one

C25H27NO4 — CID 2205601

IUPAC8-methyl-7-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2c(C)c(OCC(=O)c3ccc(N4CCCC4)cc3)ccc12
InChIInChI=1S/C25H27NO4/c1-3-6-19-15-24(28)30-25-17(2)23(12-11-21(19)25)29-16-22(27)18-7-9-20(10-8-18)26-13-4-5-14-26/h7-12,15H,3-6,13-14,16H2,1-2H3
InChIKeyOMXPMMGQUXWOQG-UHFFFAOYSA-N
MW405.49 g/mol
LogP4.92
Rot. Bonds7

About 8-methyl-7-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]-4-propylchromen-2-one

8-methyl-7-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]-4-propylchromen-2-one (PubChem CID 2205601) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is 8-methyl-7-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]-4-propylchromen-2-one.

Molecular Properties

Compound Name8-methyl-7-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]-4-propylchromen-2-one
PubChem CID2205601
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC Name8-methyl-7-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2c(C)c(OCC(=O)c3ccc(N4CCCC4)cc3)ccc12
InChIInChI=1S/C25H27NO4/c1-3-6-19-15-24(28)30-25-17(2)23(12-11-21(19)25)29-16-22(27)18-7-9-20(10-8-18)26-13-4-5-14-26/h7-12,15H,3-6,13-14,16H2,1-2H3
InChIKeyOMXPMMGQUXWOQG-UHFFFAOYSA-N
XLogP4.92
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-methyl-7-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]-4-propylchromen-2-one 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

methyl 2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetate
CID 4914970
4-butyl-8-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one
CID 2292470
8-methyl-7-prop-2-enoxy-4-propylchromen-2-one
CID 23459774
2-[[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]butanedioic acid
CID 71951004
2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetamide
CID 770817
7-[2-(4-bromophenyl)-2-oxoethoxy]-8-methyl-4-(trifluoromethyl)chromen-2-one
CID 1332001
2-[[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid
CID 3731948
propyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetate
CID 2271747
7-[2-(4-bromophenyl)-2-oxoethoxy]-8-methyl-4-phenylchromen-2-one
CID 4914745
8-methyl-2-morpholin-4-yl-7-phenacyloxychromen-4-one
CID 15650864
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxy-N-methylacetamide
CID 110207606
(8-methyl-2-oxo-4-propylchromen-7-yl) furan-2-carboxylate
CID 906606

Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]-4-propylchromen-2-one?
The IUPAC name of 8-methyl-7-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]-4-propylchromen-2-one (CID 2205601) is 8-methyl-7-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]-4-propylchromen-2-one.
What is the SMILES notation for 8-methyl-7-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]-4-propylchromen-2-one?
The canonical SMILES for 8-methyl-7-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]-4-propylchromen-2-one is CCCc1cc(=O)oc2c(C)c(OCC(=O)c3ccc(N4CCCC4)cc3)ccc12.
What is the InChIKey of 8-methyl-7-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]-4-propylchromen-2-one?
The InChIKey is OMXPMMGQUXWOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c1-3-6-19-15-24(28)30-25-17(2)23(12-11-21(19)25)29-16-22(27)18-7-9-20(10-8-18)26-13-4-5-14-26/h7-12,15H,3-6,13-14,16H2,1-2H3.
What are the key properties of 8-methyl-7-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]-4-propylchromen-2-one?
8-methyl-7-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]-4-propylchromen-2-one has a molecular weight of 405.49 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]-4-propylchromen-2-one is sourced from PubChem (CID 2205601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).