2-[4-[3-methyl-2-(4-methylbenzoyl)-8-phenylfuro[2,3-e][1]benzofuran-7-carbonyl]phenoxy]-1-morpholin-4-ylethanone

C38H31NO7 — CID 141472552

IUPAC2-[4-[3-methyl-2-(4-methylbenzoyl)-8-phenylfuro[2,3-e][1]benzofuran-7-carbonyl]phenoxy]-1-morpholin-4-ylethanone
SMILESCc1ccc(C(=O)c2oc3c(ccc4oc(C(=O)c5ccc(OCC(=O)N6CCOCC6)cc5)c(-c5ccccc5)c43)c2C)cc1
InChIInChI=1S/C38H31NO7/c1-23-8-10-26(11-9-23)34(41)36-24(2)29-16-17-30-33(37(29)46-36)32(25-6-4-3-5-7-25)38(45-30)35(42)27-12-14-28(15-13-27)44-22-31(40)39-18-20-43-21-19-39/h3-17H,18-22H2,1-2H3
InChIKeyKLXBUBYLZQWIJA-UHFFFAOYSA-N
MW613.67 g/mol
LogP7.16
Rot. Bonds8

About 2-[4-[3-methyl-2-(4-methylbenzoyl)-8-phenylfuro[2,3-e][1]benzofuran-7-carbonyl]phenoxy]-1-morpholin-4-ylethanone

2-[4-[3-methyl-2-(4-methylbenzoyl)-8-phenylfuro[2,3-e][1]benzofuran-7-carbonyl]phenoxy]-1-morpholin-4-ylethanone (PubChem CID 141472552) has the molecular formula C38H31NO7 and a molecular weight of 613.67 g/mol. Its IUPAC name is 2-[4-[3-methyl-2-(4-methylbenzoyl)-8-phenylfuro[2,3-e][1]benzofuran-7-carbonyl]phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[3-methyl-2-(4-methylbenzoyl)-8-phenylfuro[2,3-e][1]benzofuran-7-carbonyl]phenoxy]-1-morpholin-4-ylethanone
PubChem CID141472552
Molecular FormulaC38H31NO7
Molecular Weight613.67 g/mol
Exact Mass613.21
IUPAC Name2-[4-[3-methyl-2-(4-methylbenzoyl)-8-phenylfuro[2,3-e][1]benzofuran-7-carbonyl]phenoxy]-1-morpholin-4-ylethanone
SMILESCc1ccc(C(=O)c2oc3c(ccc4oc(C(=O)c5ccc(OCC(=O)N6CCOCC6)cc5)c(-c5ccccc5)c43)c2C)cc1
InChIInChI=1S/C38H31NO7/c1-23-8-10-26(11-9-23)34(41)36-24(2)29-16-17-30-33(37(29)46-36)32(25-6-4-3-5-7-25)38(45-30)35(42)27-12-14-28(15-13-27)44-22-31(40)39-18-20-43-21-19-39/h3-17H,18-22H2,1-2H3
InChIKeyKLXBUBYLZQWIJA-UHFFFAOYSA-N
XLogP7.16
TPSA99.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.67
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[3-methyl-2-(4-methylbenzoyl)-8-phenylfuro[2,3-e][1]benzofuran-7-carbonyl]phenoxy]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
2-[4-(6-methyl-4-phenylquinolin-2-yl)phenoxy]-1-morpholin-4-ylethanone
CID 39860435
1-morpholin-4-yl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone
CID 46266743
1-[(Z)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethylideneamino]-3-phenylurea
CID 9242424
1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 110738619
N,4-dimethyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzenesulfonamide
CID 1190688
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 9252709
8-benzoyl-4,9-diphenylfuro[2,3-h]chromen-2-one
CID 44553869
2-[4-(furan-2-yl)phenoxy]-1-morpholin-4-ylethanone
CID 168524915
2-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone
CID 50754150
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylphenoxy)ethanone
CID 110755929

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-methyl-2-(4-methylbenzoyl)-8-phenylfuro[2,3-e][1]benzofuran-7-carbonyl]phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[3-methyl-2-(4-methylbenzoyl)-8-phenylfuro[2,3-e][1]benzofuran-7-carbonyl]phenoxy]-1-morpholin-4-ylethanone (CID 141472552) is 2-[4-[3-methyl-2-(4-methylbenzoyl)-8-phenylfuro[2,3-e][1]benzofuran-7-carbonyl]phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[3-methyl-2-(4-methylbenzoyl)-8-phenylfuro[2,3-e][1]benzofuran-7-carbonyl]phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[3-methyl-2-(4-methylbenzoyl)-8-phenylfuro[2,3-e][1]benzofuran-7-carbonyl]phenoxy]-1-morpholin-4-ylethanone is Cc1ccc(C(=O)c2oc3c(ccc4oc(C(=O)c5ccc(OCC(=O)N6CCOCC6)cc5)c(-c5ccccc5)c43)c2C)cc1.
What is the InChIKey of 2-[4-[3-methyl-2-(4-methylbenzoyl)-8-phenylfuro[2,3-e][1]benzofuran-7-carbonyl]phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is KLXBUBYLZQWIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31NO7/c1-23-8-10-26(11-9-23)34(41)36-24(2)29-16-17-30-33(37(29)46-36)32(25-6-4-3-5-7-25)38(45-30)35(42)27-12-14-28(15-13-27)44-22-31(40)39-18-20-43-21-19-39/h3-17H,18-22H2,1-2H3.
What are the key properties of 2-[4-[3-methyl-2-(4-methylbenzoyl)-8-phenylfuro[2,3-e][1]benzofuran-7-carbonyl]phenoxy]-1-morpholin-4-ylethanone?
2-[4-[3-methyl-2-(4-methylbenzoyl)-8-phenylfuro[2,3-e][1]benzofuran-7-carbonyl]phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 613.67 g/mol, XLogP of 7.16, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-methyl-2-(4-methylbenzoyl)-8-phenylfuro[2,3-e][1]benzofuran-7-carbonyl]phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 141472552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).