(5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(Z)-C-methyl-N-prop-2-enoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol;(5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol

C60H60N4O8S2 — CID 158518309

IUPAC(5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(Z)-C-methyl-N-prop-2-enoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol;(5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol
SMILESC=CCO/N=C(/C)c1ccsc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3.C=CCO/N=C(\C)c1ccsc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3
InChIInChI=1S/2C30H30N2O4S/c2*1-7-13-35-32-18(3)19-12-14-37-25(19)15-24-27-20(28-23(36-24)11-10-22(33)29(28)34-6)8-9-21-26(27)17(2)16-30(4,5)31-21/h2*7-12,14-16,31,33H,1,13H2,2-6H3/b24-15-,32-18+;24-15-,32-18-
InChIKeyHLXBIPWRUWRNFX-LSPHBUTKSA-N
MW1029.29 g/mol
LogP15.11
Rot. Bonds12

About (5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(Z)-C-methyl-N-prop-2-enoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol;(5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol

(5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(Z)-C-methyl-N-prop-2-enoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol;(5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol (PubChem CID 158518309) has the molecular formula C60H60N4O8S2 and a molecular weight of 1029.29 g/mol. Its IUPAC name is (5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(Z)-C-methyl-N-prop-2-enoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol;(5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol.

Molecular Properties

Compound Name(5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(Z)-C-methyl-N-prop-2-enoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol;(5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol
PubChem CID158518309
Molecular FormulaC60H60N4O8S2
Molecular Weight1029.29 g/mol
Exact Mass1028.39
IUPAC Name(5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(Z)-C-methyl-N-prop-2-enoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol;(5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol
SMILESC=CCO/N=C(/C)c1ccsc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3.C=CCO/N=C(\C)c1ccsc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3
InChIInChI=1S/2C30H30N2O4S/c2*1-7-13-35-32-18(3)19-12-14-37-25(19)15-24-27-20(28-23(36-24)11-10-22(33)29(28)34-6)8-9-21-26(27)17(2)16-30(4,5)31-21/h2*7-12,14-16,31,33H,1,13H2,2-6H3/b24-15-,32-18+;24-15-,32-18-
InChIKeyHLXBIPWRUWRNFX-LSPHBUTKSA-N
XLogP15.11
TPSA144.62 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001029.29
LogP ≤ 515.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(Z)-C-methyl-N-prop-2-enoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol;(5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol with MolForge

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Related Compounds

5-[[3-(N-hydroxy-C-methylcarbonimidoyl)thiophen-2-yl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 72782759
(5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(E)-C-methyl-N-phenoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol
CID 11478401
2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophene-3-carboxamide
CID 76587568
5-[[3-(1-hydroxybut-3-enyl)thiophen-2-yl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 72958949
(5Z)-5-[(3,5-ditert-butylphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 11295406
10-methoxy-2,2,4-trimethyl-5-[[2-(nitrosomethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol
CID 91520703
(5Z)-5-[[3-(hydroxymethyl)-5-methylfuran-2-yl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 11212978
(5Z)-5-[(3-chlorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 11453616
10-methoxy-2,2,4-trimethyl-5-[(3-thiophen-3-ylphenyl)methylidene]-1H-chromeno[3,4-f]quinolin-9-ol
CID 72753654
(5Z)-5-(1,3-benzodioxol-4-ylmethylidene)-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 11213215
(5Z)-5-[2-[(1Z)-4-hydroxyhepta-1,6-dienyl]sulfanylethylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 143098319
(5Z)-5-[[3-(2,2-difluoroethoxy)phenyl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 11340817

Frequently Asked Questions

What is the IUPAC name of (5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(Z)-C-methyl-N-prop-2-enoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol;(5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol?
The IUPAC name of (5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(Z)-C-methyl-N-prop-2-enoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol;(5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol (CID 158518309) is (5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(Z)-C-methyl-N-prop-2-enoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol;(5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol.
What is the SMILES notation for (5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(Z)-C-methyl-N-prop-2-enoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol;(5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol?
The canonical SMILES for (5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(Z)-C-methyl-N-prop-2-enoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol;(5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol is C=CCO/N=C(/C)c1ccsc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3.C=CCO/N=C(\C)c1ccsc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3.
What is the InChIKey of (5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(Z)-C-methyl-N-prop-2-enoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol;(5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol?
The InChIKey is HLXBIPWRUWRNFX-LSPHBUTKSA-N. The full InChI is InChI=1S/2C30H30N2O4S/c2*1-7-13-35-32-18(3)19-12-14-37-25(19)15-24-27-20(28-23(36-24)11-10-22(33)29(28)34-6)8-9-21-26(27)17(2)16-30(4,5)31-21/h2*7-12,14-16,31,33H,1,13H2,2-6H3/b24-15-,32-18+;24-15-,32-18-.
What are the key properties of (5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(Z)-C-methyl-N-prop-2-enoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol;(5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol?
(5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(Z)-C-methyl-N-prop-2-enoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol;(5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol has a molecular weight of 1029.29 g/mol, XLogP of 15.11, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(Z)-C-methyl-N-prop-2-enoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol;(5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol is sourced from PubChem (CID 158518309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).