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

C27H27NO4S — CID 11155441

IUPAC(5Z)-10-methoxy-5-[[3-(methoxymethyl)thiophen-2-yl]methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
SMILESCOCc1ccsc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3
InChIInChI=1S/C27H27NO4S/c1-15-13-27(2,3)28-18-7-6-17-24(23(15)18)21(12-22-16(14-30-4)10-11-33-22)32-20-9-8-19(29)26(31-5)25(17)20/h6-13,28-29H,14H2,1-5H3/b21-12-
InChIKeyUZNBZDTUBTWOBU-MTJSOVHGSA-N
MW461.58 g/mol
LogP6.77
Rot. Bonds4

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

(5Z)-10-methoxy-5-[[3-(methoxymethyl)thiophen-2-yl]methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol (PubChem CID 11155441) has the molecular formula C27H27NO4S and a molecular weight of 461.58 g/mol. Its IUPAC name is (5Z)-10-methoxy-5-[[3-(methoxymethyl)thiophen-2-yl]methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol.

Molecular Properties

Compound Name(5Z)-10-methoxy-5-[[3-(methoxymethyl)thiophen-2-yl]methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
PubChem CID11155441
Molecular FormulaC27H27NO4S
Molecular Weight461.58 g/mol
Exact Mass461.17
IUPAC Name(5Z)-10-methoxy-5-[[3-(methoxymethyl)thiophen-2-yl]methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
SMILESCOCc1ccsc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3
InChIInChI=1S/C27H27NO4S/c1-15-13-27(2,3)28-18-7-6-17-24(23(15)18)21(12-22-16(14-30-4)10-11-33-22)32-20-9-8-19(29)26(31-5)25(17)20/h6-13,28-29H,14H2,1-5H3/b21-12-
InChIKeyUZNBZDTUBTWOBU-MTJSOVHGSA-N
XLogP6.77
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.58
LogP ≤ 56.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5Z)-10-methoxy-5-[[3-(methoxymethyl)thiophen-2-yl]methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?
The IUPAC name of (5Z)-10-methoxy-5-[[3-(methoxymethyl)thiophen-2-yl]methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol (CID 11155441) is (5Z)-10-methoxy-5-[[3-(methoxymethyl)thiophen-2-yl]methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol.
What is the SMILES notation for (5Z)-10-methoxy-5-[[3-(methoxymethyl)thiophen-2-yl]methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?
The canonical SMILES for (5Z)-10-methoxy-5-[[3-(methoxymethyl)thiophen-2-yl]methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol is COCc1ccsc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3.
What is the InChIKey of (5Z)-10-methoxy-5-[[3-(methoxymethyl)thiophen-2-yl]methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?
The InChIKey is UZNBZDTUBTWOBU-MTJSOVHGSA-N. The full InChI is InChI=1S/C27H27NO4S/c1-15-13-27(2,3)28-18-7-6-17-24(23(15)18)21(12-22-16(14-30-4)10-11-33-22)32-20-9-8-19(29)26(31-5)25(17)20/h6-13,28-29H,14H2,1-5H3/b21-12-.
What are the key properties of (5Z)-10-methoxy-5-[[3-(methoxymethyl)thiophen-2-yl]methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?
(5Z)-10-methoxy-5-[[3-(methoxymethyl)thiophen-2-yl]methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol has a molecular weight of 461.58 g/mol, XLogP of 6.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-10-methoxy-5-[[3-(methoxymethyl)thiophen-2-yl]methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol is sourced from PubChem (CID 11155441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).