(5Z)-5-[[3-(hydroxymethyl)-5-methylfuran-2-yl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol

C27H27NO5 — CID 11212978

IUPAC(5Z)-5-[[3-(hydroxymethyl)-5-methylfuran-2-yl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
SMILESCOc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1oc(C)cc1CO)O2)C(C)=CC(C)(C)N3
InChIInChI=1S/C27H27NO5/c1-14-12-27(3,4)28-18-7-6-17-24(23(14)18)22(11-21-16(13-29)10-15(2)32-21)33-20-9-8-19(30)26(31-5)25(17)20/h6-12,28-30H,13H2,1-5H3/b22-11-
InChIKeyJOAVDMKAEPKHMU-JJFYIABZSA-N
MW445.52 g/mol
LogP5.96
Rot. Bonds3

About (5Z)-5-[[3-(hydroxymethyl)-5-methylfuran-2-yl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol

(5Z)-5-[[3-(hydroxymethyl)-5-methylfuran-2-yl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol (PubChem CID 11212978) has the molecular formula C27H27NO5 and a molecular weight of 445.52 g/mol. Its IUPAC name is (5Z)-5-[[3-(hydroxymethyl)-5-methylfuran-2-yl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol.

Molecular Properties

Compound Name(5Z)-5-[[3-(hydroxymethyl)-5-methylfuran-2-yl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
PubChem CID11212978
Molecular FormulaC27H27NO5
Molecular Weight445.52 g/mol
Exact Mass445.19
IUPAC Name(5Z)-5-[[3-(hydroxymethyl)-5-methylfuran-2-yl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
SMILESCOc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1oc(C)cc1CO)O2)C(C)=CC(C)(C)N3
InChIInChI=1S/C27H27NO5/c1-14-12-27(3,4)28-18-7-6-17-24(23(14)18)22(11-21-16(13-29)10-15(2)32-21)33-20-9-8-19(30)26(31-5)25(17)20/h6-12,28-30H,13H2,1-5H3/b22-11-
InChIKeyJOAVDMKAEPKHMU-JJFYIABZSA-N
XLogP5.96
TPSA84.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.52
LogP ≤ 55.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (5Z)-5-[[3-(hydroxymethyl)-5-methylfuran-2-yl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol with MolForge

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Related Compounds

(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-(1,3-benzodioxol-4-ylmethylidene)-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 11213215
(5Z)-5-[(3-chlorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 11453616
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-(2,2-difluoroethoxy)phenyl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 11340817
[2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophen-3-yl]-pyrrolidin-1-ylmethanone
CID 72968073
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
10-methoxy-2,2,4-trimethyl-5-[(3-thiophen-3-ylphenyl)methylidene]-1H-chromeno[3,4-f]quinolin-9-ol
CID 72753654
[5-fluoro-2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]phenyl]-morpholin-4-ylmethanone
CID 72768881
(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

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[3-(hydroxymethyl)-5-methylfuran-2-yl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?
The IUPAC name of (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) is (5Z)-5-[[3-(hydroxymethyl)-5-methylfuran-2-yl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol.
What is the SMILES notation for (5Z)-5-[[3-(hydroxymethyl)-5-methylfuran-2-yl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?
The canonical SMILES for (5Z)-5-[[3-(hydroxymethyl)-5-methylfuran-2-yl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol is COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1oc(C)cc1CO)O2)C(C)=CC(C)(C)N3.
What is the InChIKey of (5Z)-5-[[3-(hydroxymethyl)-5-methylfuran-2-yl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?
The InChIKey is JOAVDMKAEPKHMU-JJFYIABZSA-N. The full InChI is InChI=1S/C27H27NO5/c1-14-12-27(3,4)28-18-7-6-17-24(23(14)18)22(11-21-16(13-29)10-15(2)32-21)33-20-9-8-19(30)26(31-5)25(17)20/h6-12,28-30H,13H2,1-5H3/b22-11-.
What are the key properties of (5Z)-5-[[3-(hydroxymethyl)-5-methylfuran-2-yl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?
(5Z)-5-[[3-(hydroxymethyl)-5-methylfuran-2-yl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol has a molecular weight of 445.52 g/mol, XLogP of 5.96, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[3-(hydroxymethyl)-5-methylfuran-2-yl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol is sourced from PubChem (CID 11212978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).