(2R)-4-[(2,5-dimethoxyphenyl)methylideneamino]-2-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione

C24H24N4O4 — CID 71964203

IUPAC(2R)-4-[(2,5-dimethoxyphenyl)methylideneamino]-2-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione
SMILESCOc1ccc(OC)c(C=NN2CC(=O)N3CCc4c([nH]c5ccccc45)[C@]3(C)C2=O)c1
InChIInChI=1S/C24H24N4O4/c1-24-22-18(17-6-4-5-7-19(17)26-22)10-11-27(24)21(29)14-28(23(24)30)25-13-15-12-16(31-2)8-9-20(15)32-3/h4-9,12-13,26H,10-11,14H2,1-3H3/t24-/m1/s1
InChIKeyDNEUVZVNVGDYGR-XMMPIXPASA-N
MW432.48 g/mol
LogP2.66
Rot. Bonds4

About (2R)-4-[(2,5-dimethoxyphenyl)methylideneamino]-2-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione

(2R)-4-[(2,5-dimethoxyphenyl)methylideneamino]-2-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione (PubChem CID 71964203) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is (2R)-4-[(2,5-dimethoxyphenyl)methylideneamino]-2-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione.

Molecular Properties

Compound Name(2R)-4-[(2,5-dimethoxyphenyl)methylideneamino]-2-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione
PubChem CID71964203
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name(2R)-4-[(2,5-dimethoxyphenyl)methylideneamino]-2-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione
SMILESCOc1ccc(OC)c(C=NN2CC(=O)N3CCc4c([nH]c5ccccc45)[C@]3(C)C2=O)c1
InChIInChI=1S/C24H24N4O4/c1-24-22-18(17-6-4-5-7-19(17)26-22)10-11-27(24)21(29)14-28(23(24)30)25-13-15-12-16(31-2)8-9-20(15)32-3/h4-9,12-13,26H,10-11,14H2,1-3H3/t24-/m1/s1
InChIKeyDNEUVZVNVGDYGR-XMMPIXPASA-N
XLogP2.66
TPSA87.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-4-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione
CID 135623761
(2R)-4-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione
CID 25426951
2-methyl-4-[(3-methylphenyl)methylideneamino]-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione
CID 3844165
(2R)-4-[(3-bromophenyl)methylideneamino]-2-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione
CID 71964148
4-[(3-bromophenyl)methylideneamino]-2-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione
CID 4269319
(2S)-4-[(4-methoxyphenyl)methyl]-2-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione
CID 6569064
(2R)-13-methoxy-2-methyl-4-propyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-3,6-dione
CID 908634
18-methoxy-1-methyl-3,13-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-2(10),4,6,8,16(21),17,19-heptaene
CID 72722716
(2S)-13-methoxy-4-(2-methoxyethyl)-2-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-3,6-dione
CID 6576185
13-methoxy-2-methyl-4-pentyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-3,6-dione
CID 3843050
(1S)-7-methoxy-1-methyl-3,13-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-2(10),4(9),5,7,16,18,20-heptaen-14-one
CID 139092958
4-[2-[(2S)-13-methoxy-2-methyl-3,6-dioxo-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraen-4-yl]ethyl]benzenesulfonamide
CID 6571586

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2,5-dimethoxyphenyl)methylideneamino]-2-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione?
The IUPAC name of (2R)-4-[(2,5-dimethoxyphenyl)methylideneamino]-2-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione (CID 71964203) is (2R)-4-[(2,5-dimethoxyphenyl)methylideneamino]-2-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione.
What is the SMILES notation for (2R)-4-[(2,5-dimethoxyphenyl)methylideneamino]-2-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione?
The canonical SMILES for (2R)-4-[(2,5-dimethoxyphenyl)methylideneamino]-2-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione is COc1ccc(OC)c(C=NN2CC(=O)N3CCc4c([nH]c5ccccc45)[C@]3(C)C2=O)c1.
What is the InChIKey of (2R)-4-[(2,5-dimethoxyphenyl)methylideneamino]-2-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione?
The InChIKey is DNEUVZVNVGDYGR-XMMPIXPASA-N. The full InChI is InChI=1S/C24H24N4O4/c1-24-22-18(17-6-4-5-7-19(17)26-22)10-11-27(24)21(29)14-28(23(24)30)25-13-15-12-16(31-2)8-9-20(15)32-3/h4-9,12-13,26H,10-11,14H2,1-3H3/t24-/m1/s1.
What are the key properties of (2R)-4-[(2,5-dimethoxyphenyl)methylideneamino]-2-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione?
(2R)-4-[(2,5-dimethoxyphenyl)methylideneamino]-2-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione has a molecular weight of 432.48 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(2,5-dimethoxyphenyl)methylideneamino]-2-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione is sourced from PubChem (CID 71964203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).