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

C27H25NO4 — CID 11293264

IUPAC(5Z)-5-[(4-hydroxyphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
SMILESCOc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1ccc(O)cc1)O2)C(C)=CC(C)(C)N3
InChIInChI=1S/C27H25NO4/c1-15-14-27(2,3)28-19-10-9-18-24(23(15)19)22(13-16-5-7-17(29)8-6-16)32-21-12-11-20(30)26(31-4)25(18)21/h5-14,28-30H,1-4H3/b22-13-
InChIKeyRDNFABJGLAAKQW-XKZIYDEJSA-N
MW427.50 g/mol
LogP6.27
Rot. Bonds2

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

(5Z)-5-[(4-hydroxyphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol (PubChem CID 11293264) has the molecular formula C27H25NO4 and a molecular weight of 427.50 g/mol. Its IUPAC name is (5Z)-5-[(4-hydroxyphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol.

Molecular Properties

Compound Name(5Z)-5-[(4-hydroxyphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
PubChem CID11293264
Molecular FormulaC27H25NO4
Molecular Weight427.50 g/mol
Exact Mass427.18
IUPAC Name(5Z)-5-[(4-hydroxyphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
SMILESCOc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1ccc(O)cc1)O2)C(C)=CC(C)(C)N3
InChIInChI=1S/C27H25NO4/c1-15-14-27(2,3)28-19-10-9-18-24(23(15)19)22(13-16-5-7-17(29)8-6-16)32-21-12-11-20(30)26(31-4)25(18)21/h5-14,28-30H,1-4H3/b22-13-
InChIKeyRDNFABJGLAAKQW-XKZIYDEJSA-N
XLogP6.27
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 56.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-hydroxyphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?
The IUPAC name of (5Z)-5-[(4-hydroxyphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol (CID 11293264) is (5Z)-5-[(4-hydroxyphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol.
What is the SMILES notation for (5Z)-5-[(4-hydroxyphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?
The canonical SMILES for (5Z)-5-[(4-hydroxyphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol is COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1ccc(O)cc1)O2)C(C)=CC(C)(C)N3.
What is the InChIKey of (5Z)-5-[(4-hydroxyphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?
The InChIKey is RDNFABJGLAAKQW-XKZIYDEJSA-N. The full InChI is InChI=1S/C27H25NO4/c1-15-14-27(2,3)28-19-10-9-18-24(23(15)19)22(13-16-5-7-17(29)8-6-16)32-21-12-11-20(30)26(31-4)25(18)21/h5-14,28-30H,1-4H3/b22-13-.
What are the key properties of (5Z)-5-[(4-hydroxyphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol?
(5Z)-5-[(4-hydroxyphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol has a molecular weight of 427.50 g/mol, XLogP of 6.27, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-hydroxyphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol is sourced from PubChem (CID 11293264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).