(2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl)methanol

C23H25NO2 — CID 11002535

IUPAC(2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl)methanol
SMILESC=CCC1Oc2cccc(CO)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3
InChIInChI=1S/C23H25NO2/c1-5-7-18-22-16(21-15(13-25)8-6-9-19(21)26-18)10-11-17-20(22)14(2)12-23(3,4)24-17/h5-6,8-12,18,24-25H,1,7,13H2,2-4H3
InChIKeyCRODFMXMGHZTCT-UHFFFAOYSA-N
MW347.46 g/mol
LogP5.46
Rot. Bonds3

About (2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl)methanol

(2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl)methanol (PubChem CID 11002535) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl)methanol.

Molecular Properties

Compound Name(2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl)methanol
PubChem CID11002535
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name(2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl)methanol
SMILESC=CCC1Oc2cccc(CO)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3
InChIInChI=1S/C23H25NO2/c1-5-7-18-22-16(21-15(13-25)8-6-9-19(21)26-18)10-11-17-20(22)14(2)12-23(3,4)24-17/h5-6,8-12,18,24-25H,1,7,13H2,2-4H3
InChIKeyCRODFMXMGHZTCT-UHFFFAOYSA-N
XLogP5.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl)methanol 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 (2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl)methanol?
The IUPAC name of (2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl)methanol (CID 11002535) is (2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl)methanol.
What is the SMILES notation for (2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl)methanol?
The canonical SMILES for (2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl)methanol is C=CCC1Oc2cccc(CO)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3.
What is the InChIKey of (2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl)methanol?
The InChIKey is CRODFMXMGHZTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-5-7-18-22-16(21-15(13-25)8-6-9-19(21)26-18)10-11-17-20(22)14(2)12-23(3,4)24-17/h5-6,8-12,18,24-25H,1,7,13H2,2-4H3.
What are the key properties of (2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl)methanol?
(2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl)methanol has a molecular weight of 347.46 g/mol, XLogP of 5.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl)methanol is sourced from PubChem (CID 11002535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).