methyl 8-[1-(3-fluorophenyl)pyrrolidin-2-yl]-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylate

C26H27FN2O5 — CID 89051890

IUPACmethyl 8-[1-(3-fluorophenyl)pyrrolidin-2-yl]-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylate
SMILESCOC(=O)c1cc(C2CCCN2c2cccc(F)c2)c2oc(N3CCOC(C)C3)cc(=O)c2c1
InChIInChI=1S/C26H27FN2O5/c1-16-15-28(9-10-33-16)24-14-23(30)21-12-17(26(31)32-2)11-20(25(21)34-24)22-7-4-8-29(22)19-6-3-5-18(27)13-19/h3,5-6,11-14,16,22H,4,7-10,15H2,1-2H3
InChIKeyBITSUBJRJWLAFW-UHFFFAOYSA-N
MW466.51 g/mol
LogP4.29
Rot. Bonds4

About methyl 8-[1-(3-fluorophenyl)pyrrolidin-2-yl]-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylate

methyl 8-[1-(3-fluorophenyl)pyrrolidin-2-yl]-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylate (PubChem CID 89051890) has the molecular formula C26H27FN2O5 and a molecular weight of 466.51 g/mol. Its IUPAC name is methyl 8-[1-(3-fluorophenyl)pyrrolidin-2-yl]-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylate.

Molecular Properties

Compound Namemethyl 8-[1-(3-fluorophenyl)pyrrolidin-2-yl]-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylate
PubChem CID89051890
Molecular FormulaC26H27FN2O5
Molecular Weight466.51 g/mol
Exact Mass466.19
IUPAC Namemethyl 8-[1-(3-fluorophenyl)pyrrolidin-2-yl]-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylate
SMILESCOC(=O)c1cc(C2CCCN2c2cccc(F)c2)c2oc(N3CCOC(C)C3)cc(=O)c2c1
InChIInChI=1S/C26H27FN2O5/c1-16-15-28(9-10-33-16)24-14-23(30)21-12-17(26(31)32-2)11-20(25(21)34-24)22-7-4-8-29(22)19-6-3-5-18(27)13-19/h3,5-6,11-14,16,22H,4,7-10,15H2,1-2H3
InChIKeyBITSUBJRJWLAFW-UHFFFAOYSA-N
XLogP4.29
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 8-[1-(3-fluorophenyl)pyrrolidin-2-yl]-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylate with MolForge

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Related Compounds

Azd-8186
CID 52913813
8-[(1R)-1-(3,5-difluoroanilino)ethyl]-N,N-dimethyl-2-[(2S)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxamide
CID 67103909
Pik-108
CID 54751698
8-(1-(3-fluoro-5-methylphenylamino)ethyl)-N,N-dimethyl-2-morpholino-4-oxo-4H-chromene-6-carboxamide
CID 52913592
8-(1-(3-chloro-4-fluorophenylamino)ethyl)-N,N-dimethyl-2-morpholino-4-oxo-4H-chromene-6-carboxamide
CID 52913931
8-(1-(2,5-difluorophenylamino)ethyl)-N,N-dimethyl-2-morpholino-4-oxo-4H-chromene-6-carboxamide
CID 58234990
8-[1-(3,5-Difluoroanilino)ethyl]-6-(4-hydroxypiperidine-1-carbonyl)-2-morpholin-4-ylchromen-4-one
CID 58234995
8-[1-(3,5-Difluoroanilino)ethyl]-2-morpholin-4-yl-6-(piperidine-1-carbonyl)chromen-4-one
CID 58235016
8-[1-(3,5-difluoroanilino)ethyl]-N-ethyl-N-methyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
CID 58235018
8-(1-(3-fluoro-5-methoxyphenylamino)ethyl)-N,N-dimethyl-2-morpholino-4-oxo-4H-chromene-6-carboxamide
CID 58235020
8-[1-(2,3-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
CID 58235030
8-[1-(3,5-difluoroanilino)ethyl]-N-ethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
CID 58235033

Frequently Asked Questions

What is the IUPAC name of methyl 8-[1-(3-fluorophenyl)pyrrolidin-2-yl]-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylate?
The IUPAC name of methyl 8-[1-(3-fluorophenyl)pyrrolidin-2-yl]-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylate (CID 89051890) is methyl 8-[1-(3-fluorophenyl)pyrrolidin-2-yl]-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylate.
What is the SMILES notation for methyl 8-[1-(3-fluorophenyl)pyrrolidin-2-yl]-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylate?
The canonical SMILES for methyl 8-[1-(3-fluorophenyl)pyrrolidin-2-yl]-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylate is COC(=O)c1cc(C2CCCN2c2cccc(F)c2)c2oc(N3CCOC(C)C3)cc(=O)c2c1.
What is the InChIKey of methyl 8-[1-(3-fluorophenyl)pyrrolidin-2-yl]-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylate?
The InChIKey is BITSUBJRJWLAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O5/c1-16-15-28(9-10-33-16)24-14-23(30)21-12-17(26(31)32-2)11-20(25(21)34-24)22-7-4-8-29(22)19-6-3-5-18(27)13-19/h3,5-6,11-14,16,22H,4,7-10,15H2,1-2H3.
What are the key properties of methyl 8-[1-(3-fluorophenyl)pyrrolidin-2-yl]-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylate?
methyl 8-[1-(3-fluorophenyl)pyrrolidin-2-yl]-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylate has a molecular weight of 466.51 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[1-(3-fluorophenyl)pyrrolidin-2-yl]-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylate is sourced from PubChem (CID 89051890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).