8-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol

C28H24ClFN2O3 — CID 146559736

IUPAC8-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol
SMILESOc1ccc2c3c(cnc2c1)-c1ccc(Cl)cc1OC3c1ccc(OCCN2CC(CF)C2)cc1
InChIInChI=1S/C28H24ClFN2O3/c29-19-3-7-22-24-14-31-25-12-20(33)4-8-23(25)27(24)28(35-26(22)11-19)18-1-5-21(6-2-18)34-10-9-32-15-17(13-30)16-32/h1-8,11-12,14,17,28,33H,9-10,13,15-16H2
InChIKeyHPRZXPUOMAQVBB-UHFFFAOYSA-N
MW490.96 g/mol
LogP6.02
Rot. Bonds6

About 8-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol

8-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol (PubChem CID 146559736) has the molecular formula C28H24ClFN2O3 and a molecular weight of 490.96 g/mol. Its IUPAC name is 8-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol.

Molecular Properties

Compound Name8-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol
PubChem CID146559736
Molecular FormulaC28H24ClFN2O3
Molecular Weight490.96 g/mol
Exact Mass490.15
IUPAC Name8-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol
SMILESOc1ccc2c3c(cnc2c1)-c1ccc(Cl)cc1OC3c1ccc(OCCN2CC(CF)C2)cc1
InChIInChI=1S/C28H24ClFN2O3/c29-19-3-7-22-24-14-31-25-12-20(33)4-8-23(25)27(24)28(35-26(22)11-19)18-1-5-21(6-2-18)34-10-9-32-15-17(13-30)16-32/h1-8,11-12,14,17,28,33H,9-10,13,15-16H2
InChIKeyHPRZXPUOMAQVBB-UHFFFAOYSA-N
XLogP6.02
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.96
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

(5S)-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-8-(trifluoromethyl)-5H-chromeno[4,3-c]quinolin-2-ol
CID 146603230
(22R)-10-(fluoromethyl)-22-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-12-[2-[4-[(5R)-2-hydroxy-8-(trifluoromethyl)-5H-chromeno[4,3-c]quinolin-5-yl]phenoxy]ethyl]-18-(trifluoromethyl)-21-oxa-8,12-diazapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,15(20),16,18-heptaen-5-ol
CID 169013071
4-chloro-2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-3-(3-hydroxyphenyl)-2H-chromen-6-ol
CID 121409941
(5R)-5-[4-[2-[[2-(chloromethyl)-3-fluoropropyl]amino]ethoxy]phenyl]-8-(trifluoromethyl)-5H-chromeno[4,3-c]quinolin-2-ol
CID 169013083
(2R)-4-ethyl-2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-3-(4-hydroxyphenyl)-2H-chromen-7-ol
CID 121423225
[3-(2,3-difluorophenyl)-7-hydroxyquinolin-4-yl]-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]methanone
CID 146559751
(2R)-3-(3,5-difluorophenyl)-2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-4-methyl-2H-chromen-6-ol;(2S)-3-(3,5-difluorophenyl)-2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-4-methyl-2H-chromen-6-ol
CID 159960870
4-[2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-7-hydroxy-4-methyl-2H-chromen-3-yl]benzonitrile
CID 86764356
2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-4-methyl-3-phenyl-2H-chromen-6-ol
CID 71609797
2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-3-(4-fluoro-2-methylphenyl)-4-methyl-2H-chromen-6-ol
CID 121410063
(2R)-3-[4-fluoro-3-(hydroxymethyl)phenyl]-2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-4-methyl-2H-chromen-6-ol
CID 121409961
(2R)-7-chloro-2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-3-(3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol
CID 121423162

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol?
The IUPAC name of 8-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol (CID 146559736) is 8-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol.
What is the SMILES notation for 8-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol?
The canonical SMILES for 8-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol is Oc1ccc2c3c(cnc2c1)-c1ccc(Cl)cc1OC3c1ccc(OCCN2CC(CF)C2)cc1.
What is the InChIKey of 8-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol?
The InChIKey is HPRZXPUOMAQVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClFN2O3/c29-19-3-7-22-24-14-31-25-12-20(33)4-8-23(25)27(24)28(35-26(22)11-19)18-1-5-21(6-2-18)34-10-9-32-15-17(13-30)16-32/h1-8,11-12,14,17,28,33H,9-10,13,15-16H2.
What are the key properties of 8-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol?
8-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol has a molecular weight of 490.96 g/mol, XLogP of 6.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol is sourced from PubChem (CID 146559736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).