(2R,6R,7R,9S,13S,14S)-7,14-bis(furan-2-yl)-4,11-bis(2-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone

C32H26N4O8 — CID 11944831

IUPAC(2R,6R,7R,9S,13S,14S)-7,14-bis(furan-2-yl)-4,11-bis(2-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
SMILESCOc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)N1[C@@H](c3ccco3)[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]3N1[C@@H]2c1ccco1
InChIInChI=1S/C32H26N4O8/c1-41-19-11-5-3-9-17(19)33-29(37)23-25(21-13-7-15-43-21)36-28-24(26(22-14-8-16-44-22)35(36)27(23)31(33)39)30(38)34(32(28)40)18-10-4-6-12-20(18)42-2/h3-16,23-28H,1-2H3/t23-,24+,25+,26-,27-,28+
InChIKeyPYQSMNSSVLWBTE-BYECRERDSA-N
MW594.58 g/mol
LogP3.33
Rot. Bonds6

About (2R,6R,7R,9S,13S,14S)-7,14-bis(furan-2-yl)-4,11-bis(2-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone

(2R,6R,7R,9S,13S,14S)-7,14-bis(furan-2-yl)-4,11-bis(2-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone (PubChem CID 11944831) has the molecular formula C32H26N4O8 and a molecular weight of 594.58 g/mol. Its IUPAC name is (2R,6R,7R,9S,13S,14S)-7,14-bis(furan-2-yl)-4,11-bis(2-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone.

Molecular Properties

Compound Name(2R,6R,7R,9S,13S,14S)-7,14-bis(furan-2-yl)-4,11-bis(2-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
PubChem CID11944831
Molecular FormulaC32H26N4O8
Molecular Weight594.58 g/mol
Exact Mass594.18
IUPAC Name(2R,6R,7R,9S,13S,14S)-7,14-bis(furan-2-yl)-4,11-bis(2-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
SMILESCOc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)N1[C@@H](c3ccco3)[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]3N1[C@@H]2c1ccco1
InChIInChI=1S/C32H26N4O8/c1-41-19-11-5-3-9-17(19)33-29(37)23-25(21-13-7-15-43-21)36-28-24(26(22-14-8-16-44-22)35(36)27(23)31(33)39)30(38)34(32(28)40)18-10-4-6-12-20(18)42-2/h3-16,23-28H,1-2H3/t23-,24+,25+,26-,27-,28+
InChIKeyPYQSMNSSVLWBTE-BYECRERDSA-N
XLogP3.33
TPSA125.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.58
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (2R,6R,7R,9S,13S,14S)-7,14-bis(furan-2-yl)-4,11-bis(2-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone with MolForge

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Related Compounds

(2R,6S,7R,9S,13S,14S)-7,14-bis(furan-2-yl)-4,11-bis(2-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 124819442
(2R,6R,7R,9S,13R,14S)-7,14-bis(furan-2-yl)-4,11-bis(4-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 98105339
(3aR,4R,7R,7aS)-2-(2-methoxyphenyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 98198039
(1S,2S,6R,7S,8S,10R)-4-(2-methoxyphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 124715203
(1S,2R,3S,7S,8S,9R,10S,14R)-5,12-bis(2-methoxyphenyl)-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone
CID 124722645
4-(2-methoxyphenyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 2829122
(3aR,4R,7R,7aS)-2-(2-methoxyphenyl)-7-methyl-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione
CID 23310343
(2R)-2-(furan-2-yl)-1-(2-methoxyphenyl)-2,3-dihydropyridin-4-one
CID 11334701
7,14-bis(2-methoxyphenyl)-4,11-bis(4-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 3897677
2-(2-methoxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2847719
(3aR,4R,7R,7aS)-7-methoxy-2-(2-methoxyphenyl)-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione
CID 129427956
(2R)-2-(furan-2-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007501

Frequently Asked Questions

What is the IUPAC name of (2R,6R,7R,9S,13S,14S)-7,14-bis(furan-2-yl)-4,11-bis(2-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone?
The IUPAC name of (2R,6R,7R,9S,13S,14S)-7,14-bis(furan-2-yl)-4,11-bis(2-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone (CID 11944831) is (2R,6R,7R,9S,13S,14S)-7,14-bis(furan-2-yl)-4,11-bis(2-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone.
What is the SMILES notation for (2R,6R,7R,9S,13S,14S)-7,14-bis(furan-2-yl)-4,11-bis(2-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone?
The canonical SMILES for (2R,6R,7R,9S,13S,14S)-7,14-bis(furan-2-yl)-4,11-bis(2-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone is COc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)N1[C@@H](c3ccco3)[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]3N1[C@@H]2c1ccco1.
What is the InChIKey of (2R,6R,7R,9S,13S,14S)-7,14-bis(furan-2-yl)-4,11-bis(2-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone?
The InChIKey is PYQSMNSSVLWBTE-BYECRERDSA-N. The full InChI is InChI=1S/C32H26N4O8/c1-41-19-11-5-3-9-17(19)33-29(37)23-25(21-13-7-15-43-21)36-28-24(26(22-14-8-16-44-22)35(36)27(23)31(33)39)30(38)34(32(28)40)18-10-4-6-12-20(18)42-2/h3-16,23-28H,1-2H3/t23-,24+,25+,26-,27-,28+.
What are the key properties of (2R,6R,7R,9S,13S,14S)-7,14-bis(furan-2-yl)-4,11-bis(2-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone?
(2R,6R,7R,9S,13S,14S)-7,14-bis(furan-2-yl)-4,11-bis(2-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone has a molecular weight of 594.58 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R,7R,9S,13S,14S)-7,14-bis(furan-2-yl)-4,11-bis(2-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone is sourced from PubChem (CID 11944831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).