7-chloro-4-[2-(2-fluorophenyl)ethylamino]-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol

C23H24ClFN2O2 — CID 11538903

IUPAC7-chloro-4-[2-(2-fluorophenyl)ethylamino]-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol
SMILESCc1cc(Cl)nc2cc3c(cc12)OC(C)(C)C(O)C3NCCc1ccccc1F
InChIInChI=1S/C23H24ClFN2O2/c1-13-10-20(24)27-18-11-16-19(12-15(13)18)29-23(2,3)22(28)21(16)26-9-8-14-6-4-5-7-17(14)25/h4-7,10-12,21-22,26,28H,8-9H2,1-3H3
InChIKeyKTZDNDVKDFBDHQ-UHFFFAOYSA-N
MW414.91 g/mol
LogP4.74
Rot. Bonds4

About 7-chloro-4-[2-(2-fluorophenyl)ethylamino]-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol

7-chloro-4-[2-(2-fluorophenyl)ethylamino]-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol (PubChem CID 11538903) has the molecular formula C23H24ClFN2O2 and a molecular weight of 414.91 g/mol. Its IUPAC name is 7-chloro-4-[2-(2-fluorophenyl)ethylamino]-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol.

Molecular Properties

Compound Name7-chloro-4-[2-(2-fluorophenyl)ethylamino]-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol
PubChem CID11538903
Molecular FormulaC23H24ClFN2O2
Molecular Weight414.91 g/mol
Exact Mass414.15
IUPAC Name7-chloro-4-[2-(2-fluorophenyl)ethylamino]-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol
SMILESCc1cc(Cl)nc2cc3c(cc12)OC(C)(C)C(O)C3NCCc1ccccc1F
InChIInChI=1S/C23H24ClFN2O2/c1-13-10-20(24)27-18-11-16-19(12-15(13)18)29-23(2,3)22(28)21(16)26-9-8-14-6-4-5-7-17(14)25/h4-7,10-12,21-22,26,28H,8-9H2,1-3H3
InChIKeyKTZDNDVKDFBDHQ-UHFFFAOYSA-N
XLogP4.74
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 7-chloro-4-[2-(2-fluorophenyl)ethylamino]-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-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 7-chloro-4-[2-(2-fluorophenyl)ethylamino]-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol?
The IUPAC name of 7-chloro-4-[2-(2-fluorophenyl)ethylamino]-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol (CID 11538903) is 7-chloro-4-[2-(2-fluorophenyl)ethylamino]-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol.
What is the SMILES notation for 7-chloro-4-[2-(2-fluorophenyl)ethylamino]-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol?
The canonical SMILES for 7-chloro-4-[2-(2-fluorophenyl)ethylamino]-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol is Cc1cc(Cl)nc2cc3c(cc12)OC(C)(C)C(O)C3NCCc1ccccc1F.
What is the InChIKey of 7-chloro-4-[2-(2-fluorophenyl)ethylamino]-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol?
The InChIKey is KTZDNDVKDFBDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN2O2/c1-13-10-20(24)27-18-11-16-19(12-15(13)18)29-23(2,3)22(28)21(16)26-9-8-14-6-4-5-7-17(14)25/h4-7,10-12,21-22,26,28H,8-9H2,1-3H3.
What are the key properties of 7-chloro-4-[2-(2-fluorophenyl)ethylamino]-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol?
7-chloro-4-[2-(2-fluorophenyl)ethylamino]-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol has a molecular weight of 414.91 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[2-(2-fluorophenyl)ethylamino]-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol is sourced from PubChem (CID 11538903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).