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

C20H18N4O6 — CID 124724599

IUPAC(2R,6S,7S,9R,13S,14S)-7,14-bis(furan-2-yl)-4,11-dimethyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
SMILESCN1C(=O)[C@H]2[C@@H](c3ccco3)N3[C@H]4C(=O)N(C)C(=O)[C@H]4[C@@H](c4ccco4)N3[C@H]2C1=O
InChIInChI=1S/C20H18N4O6/c1-21-17(25)11-13(9-5-3-7-29-9)24-16-12(18(26)22(2)20(16)28)14(10-6-4-8-30-10)23(24)15(11)19(21)27/h3-8,11-16H,1-2H3/t11-,12-,13+,14+,15+,16+/m0/s1
InChIKeyZMBLDLHJBRZFNF-KPRKPIBOSA-N
MW410.39 g/mol
LogP0.17
Rot. Bonds2

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

(2R,6S,7S,9R,13S,14S)-7,14-bis(furan-2-yl)-4,11-dimethyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone (PubChem CID 124724599) has the molecular formula C20H18N4O6 and a molecular weight of 410.39 g/mol. Its IUPAC name is (2R,6S,7S,9R,13S,14S)-7,14-bis(furan-2-yl)-4,11-dimethyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone.

Molecular Properties

Compound Name(2R,6S,7S,9R,13S,14S)-7,14-bis(furan-2-yl)-4,11-dimethyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
PubChem CID124724599
Molecular FormulaC20H18N4O6
Molecular Weight410.39 g/mol
Exact Mass410.12
IUPAC Name(2R,6S,7S,9R,13S,14S)-7,14-bis(furan-2-yl)-4,11-dimethyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
SMILESCN1C(=O)[C@H]2[C@@H](c3ccco3)N3[C@H]4C(=O)N(C)C(=O)[C@H]4[C@@H](c4ccco4)N3[C@H]2C1=O
InChIInChI=1S/C20H18N4O6/c1-21-17(25)11-13(9-5-3-7-29-9)24-16-12(18(26)22(2)20(16)28)14(10-6-4-8-30-10)23(24)15(11)19(21)27/h3-8,11-16H,1-2H3/t11-,12-,13+,14+,15+,16+/m0/s1
InChIKeyZMBLDLHJBRZFNF-KPRKPIBOSA-N
XLogP0.17
TPSA107.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2R,6S,7S,9R,13S,14S)-7,14-bis(furan-2-yl)-4,11-dimethyl-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,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
(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
(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
(2S,6R,7S,9R,13R,14R)-4,11-dimethyl-7,14-dithiophen-2-yl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 124711884
4-(furan-2-yl)-1-methyl-3-phenylazetidin-2-one
CID 101419326
methyl (1R,3S,3aR,6aS)-1-(furan-2-yl)-3,5-dimethyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3-carboxylate
CID 7400057
(3R,3aR,6aS)-3-(furan-2-yl)-2-methyl-5-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 46901200
4-(furan-2-yl)-3-methoxy-1-(4-methoxyphenyl)azetidin-2-one
CID 73312428
ethyl (1R,3S,3aR,6aS)-3-ethyl-1-(furan-2-yl)-5-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3-carboxylate
CID 7400339
methyl (1R,3S,3aS,6aS)-1-(furan-2-yl)-5-methyl-4,6-dioxo-3-propyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3-carboxylate
CID 7400508
actinium;(4R)-4-(furan-2-yl)-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one
CID 59880313
5-butyl-3-(furan-2-yl)-2-(2-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 2918622

Frequently Asked Questions

What is the IUPAC name of (2R,6S,7S,9R,13S,14S)-7,14-bis(furan-2-yl)-4,11-dimethyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone?
The IUPAC name of (2R,6S,7S,9R,13S,14S)-7,14-bis(furan-2-yl)-4,11-dimethyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone (CID 124724599) is (2R,6S,7S,9R,13S,14S)-7,14-bis(furan-2-yl)-4,11-dimethyl-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,6S,7S,9R,13S,14S)-7,14-bis(furan-2-yl)-4,11-dimethyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone?
The canonical SMILES for (2R,6S,7S,9R,13S,14S)-7,14-bis(furan-2-yl)-4,11-dimethyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone is CN1C(=O)[C@H]2[C@@H](c3ccco3)N3[C@H]4C(=O)N(C)C(=O)[C@H]4[C@@H](c4ccco4)N3[C@H]2C1=O.
What is the InChIKey of (2R,6S,7S,9R,13S,14S)-7,14-bis(furan-2-yl)-4,11-dimethyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone?
The InChIKey is ZMBLDLHJBRZFNF-KPRKPIBOSA-N. The full InChI is InChI=1S/C20H18N4O6/c1-21-17(25)11-13(9-5-3-7-29-9)24-16-12(18(26)22(2)20(16)28)14(10-6-4-8-30-10)23(24)15(11)19(21)27/h3-8,11-16H,1-2H3/t11-,12-,13+,14+,15+,16+/m0/s1.
What are the key properties of (2R,6S,7S,9R,13S,14S)-7,14-bis(furan-2-yl)-4,11-dimethyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone?
(2R,6S,7S,9R,13S,14S)-7,14-bis(furan-2-yl)-4,11-dimethyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone has a molecular weight of 410.39 g/mol, XLogP of 0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S,7S,9R,13S,14S)-7,14-bis(furan-2-yl)-4,11-dimethyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone is sourced from PubChem (CID 124724599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).