8-[1-(3,5-difluoroanilino)ethyl]-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one

C26H27F2N3O5 — CID 58235053

IUPAC8-[1-(3,5-difluoroanilino)ethyl]-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one
SMILESCC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N2CCOCC2)cc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C26H27F2N3O5/c1-16(29-20-13-18(27)12-19(28)14-20)21-10-17(26(33)31-4-8-35-9-5-31)11-22-23(32)15-24(36-25(21)22)30-2-6-34-7-3-30/h10-16,29H,2-9H2,1H3
InChIKeyHANNCOPSXXARJM-UHFFFAOYSA-N
MW499.51 g/mol
LogP3.55
Rot. Bonds5

About 8-[1-(3,5-difluoroanilino)ethyl]-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one

8-[1-(3,5-difluoroanilino)ethyl]-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one (PubChem CID 58235053) has the molecular formula C26H27F2N3O5 and a molecular weight of 499.51 g/mol. Its IUPAC name is 8-[1-(3,5-difluoroanilino)ethyl]-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one.

Molecular Properties

Compound Name8-[1-(3,5-difluoroanilino)ethyl]-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one
PubChem CID58235053
Molecular FormulaC26H27F2N3O5
Molecular Weight499.51 g/mol
Exact Mass499.19
IUPAC Name8-[1-(3,5-difluoroanilino)ethyl]-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one
SMILESCC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N2CCOCC2)cc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C26H27F2N3O5/c1-16(29-20-13-18(27)12-19(28)14-20)21-10-17(26(33)31-4-8-35-9-5-31)11-22-23(32)15-24(36-25(21)22)30-2-6-34-7-3-30/h10-16,29H,2-9H2,1H3
InChIKeyHANNCOPSXXARJM-UHFFFAOYSA-N
XLogP3.55
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.51
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-[1-(3,5-difluoroanilino)ethyl]-N,N-dimethyl-2-[(2S)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxamide
CID 58235059
8-[1-(3-chloro-4-fluoroanilino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid
CID 58235047
8-[1-(3,5-difluoro-N-methylanilino)ethyl]-6-(4-hydroxypiperidine-1-carbonyl)-2-morpholin-4-ylchromen-4-one
CID 58234970
8-bromo-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one
CID 86672414
[8-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 129030423
methyl 8-(1-bromoethyl)-2-morpholin-4-yl-4-oxochromene-6-carboxylate;methyl 8-[1-(3-chloro-2-fluoroanilino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxylate
CID 162108078
9-[(1R)-1-(3,5-difluoroanilino)ethyl]-7-(4-methylpiperazine-1-carbonyl)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 118709589
6-(azetidine-1-carbonyl)-8-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-yl-4H-chromene-4-carbaldehyde
CID 174745527
8-[(1S)-1-(3,5-difluoro-N-methylanilino)ethyl]-6-(4-hydroxypiperidine-1-carbonyl)-2-(2-methylmorpholin-4-yl)chromen-4-one
CID 67103906
8-(1-bromoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide;8-(1-hydroxyethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
CID 160531552
N-[2-(dimethylamino)ethyl]-8-(1-hydroxyethyl)-2-morpholin-4-yl-4-oxochromene-6-carboxamide
CID 58235055
8-acetyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid
CID 58234981

Frequently Asked Questions

What is the IUPAC name of 8-[1-(3,5-difluoroanilino)ethyl]-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one?
The IUPAC name of 8-[1-(3,5-difluoroanilino)ethyl]-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one (CID 58235053) is 8-[1-(3,5-difluoroanilino)ethyl]-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one.
What is the SMILES notation for 8-[1-(3,5-difluoroanilino)ethyl]-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one?
The canonical SMILES for 8-[1-(3,5-difluoroanilino)ethyl]-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one is CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N2CCOCC2)cc2c(=O)cc(N3CCOCC3)oc12.
What is the InChIKey of 8-[1-(3,5-difluoroanilino)ethyl]-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one?
The InChIKey is HANNCOPSXXARJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N3O5/c1-16(29-20-13-18(27)12-19(28)14-20)21-10-17(26(33)31-4-8-35-9-5-31)11-22-23(32)15-24(36-25(21)22)30-2-6-34-7-3-30/h10-16,29H,2-9H2,1H3.
What are the key properties of 8-[1-(3,5-difluoroanilino)ethyl]-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one?
8-[1-(3,5-difluoroanilino)ethyl]-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one has a molecular weight of 499.51 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(3,5-difluoroanilino)ethyl]-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one is sourced from PubChem (CID 58235053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).