(5Z)-5-[[4-fluoro-2-(methoxymethoxymethyl)phenyl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol

C30H30FNO5 — CID 11477616

IUPAC(5Z)-5-[[4-fluoro-2-(methoxymethoxymethyl)phenyl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
SMILESCOCOCc1cc(F)ccc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3
InChIInChI=1S/C30H30FNO5/c1-17-14-30(2,3)32-22-9-8-21-27(26(17)22)25(37-24-11-10-23(33)29(35-5)28(21)24)13-18-6-7-20(31)12-19(18)15-36-16-34-4/h6-14,32-33H,15-16H2,1-5H3/b25-13-
InChIKeyOTWADYHEAKBKQC-MXAYSNPKSA-N
MW503.57 g/mol
LogP6.83
Rot. Bonds6

About (5Z)-5-[[4-fluoro-2-(methoxymethoxymethyl)phenyl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol

(5Z)-5-[[4-fluoro-2-(methoxymethoxymethyl)phenyl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol (PubChem CID 11477616) has the molecular formula C30H30FNO5 and a molecular weight of 503.57 g/mol. Its IUPAC name is (5Z)-5-[[4-fluoro-2-(methoxymethoxymethyl)phenyl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol.

Molecular Properties

Compound Name(5Z)-5-[[4-fluoro-2-(methoxymethoxymethyl)phenyl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
PubChem CID11477616
Molecular FormulaC30H30FNO5
Molecular Weight503.57 g/mol
Exact Mass503.21
IUPAC Name(5Z)-5-[[4-fluoro-2-(methoxymethoxymethyl)phenyl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
SMILESCOCOCc1cc(F)ccc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3
InChIInChI=1S/C30H30FNO5/c1-17-14-30(2,3)32-22-9-8-21-27(26(17)22)25(37-24-11-10-23(33)29(35-5)28(21)24)13-18-6-7-20(31)12-19(18)15-36-16-34-4/h6-14,32-33H,15-16H2,1-5H3/b25-13-
InChIKeyOTWADYHEAKBKQC-MXAYSNPKSA-N
XLogP6.83
TPSA69.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.57
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-fluoro-2-(methoxymethoxymethyl)phenyl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?
The IUPAC name of (5Z)-5-[[4-fluoro-2-(methoxymethoxymethyl)phenyl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol (CID 11477616) is (5Z)-5-[[4-fluoro-2-(methoxymethoxymethyl)phenyl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol.
What is the SMILES notation for (5Z)-5-[[4-fluoro-2-(methoxymethoxymethyl)phenyl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?
The canonical SMILES for (5Z)-5-[[4-fluoro-2-(methoxymethoxymethyl)phenyl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol is COCOCc1cc(F)ccc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3.
What is the InChIKey of (5Z)-5-[[4-fluoro-2-(methoxymethoxymethyl)phenyl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?
The InChIKey is OTWADYHEAKBKQC-MXAYSNPKSA-N. The full InChI is InChI=1S/C30H30FNO5/c1-17-14-30(2,3)32-22-9-8-21-27(26(17)22)25(37-24-11-10-23(33)29(35-5)28(21)24)13-18-6-7-20(31)12-19(18)15-36-16-34-4/h6-14,32-33H,15-16H2,1-5H3/b25-13-.
What are the key properties of (5Z)-5-[[4-fluoro-2-(methoxymethoxymethyl)phenyl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?
(5Z)-5-[[4-fluoro-2-(methoxymethoxymethyl)phenyl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol has a molecular weight of 503.57 g/mol, XLogP of 6.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-fluoro-2-(methoxymethoxymethyl)phenyl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol is sourced from PubChem (CID 11477616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).