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

C28H27NO3 — CID 11224044

IUPAC(5Z)-10-methoxy-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinolin-9-ol
SMILESCOc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc(C)c1)O2)C(C)=CC(C)(C)N3
InChIInChI=1S/C28H27NO3/c1-16-7-6-8-18(13-16)14-23-25-19(26-22(32-23)12-11-21(30)27(26)31-5)9-10-20-24(25)17(2)15-28(3,4)29-20/h6-15,29-30H,1-5H3/b23-14-
InChIKeyDPPNIDONMQTQMK-UCQKPKSFSA-N
MW425.53 g/mol
LogP6.87
Rot. Bonds2

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

(5Z)-10-methoxy-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinolin-9-ol (PubChem CID 11224044) has the molecular formula C28H27NO3 and a molecular weight of 425.53 g/mol. Its IUPAC name is (5Z)-10-methoxy-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinolin-9-ol.

Molecular Properties

Compound Name(5Z)-10-methoxy-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinolin-9-ol
PubChem CID11224044
Molecular FormulaC28H27NO3
Molecular Weight425.53 g/mol
Exact Mass425.20
IUPAC Name(5Z)-10-methoxy-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinolin-9-ol
SMILESCOc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc(C)c1)O2)C(C)=CC(C)(C)N3
InChIInChI=1S/C28H27NO3/c1-16-7-6-8-18(13-16)14-23-25-19(26-22(32-23)12-11-21(30)27(26)31-5)9-10-20-24(25)17(2)15-28(3,4)29-20/h6-15,29-30H,1-5H3/b23-14-
InChIKeyDPPNIDONMQTQMK-UCQKPKSFSA-N
XLogP6.87
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-10-methoxy-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinolin-9-ol?
The IUPAC name of (5Z)-10-methoxy-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinolin-9-ol (CID 11224044) is (5Z)-10-methoxy-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinolin-9-ol.
What is the SMILES notation for (5Z)-10-methoxy-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinolin-9-ol?
The canonical SMILES for (5Z)-10-methoxy-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinolin-9-ol is COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc(C)c1)O2)C(C)=CC(C)(C)N3.
What is the InChIKey of (5Z)-10-methoxy-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinolin-9-ol?
The InChIKey is DPPNIDONMQTQMK-UCQKPKSFSA-N. The full InChI is InChI=1S/C28H27NO3/c1-16-7-6-8-18(13-16)14-23-25-19(26-22(32-23)12-11-21(30)27(26)31-5)9-10-20-24(25)17(2)15-28(3,4)29-20/h6-15,29-30H,1-5H3/b23-14-.
What are the key properties of (5Z)-10-methoxy-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinolin-9-ol?
(5Z)-10-methoxy-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinolin-9-ol has a molecular weight of 425.53 g/mol, XLogP of 6.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-10-methoxy-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinolin-9-ol is sourced from PubChem (CID 11224044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).