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

C28H24ClFN2O3 — CID 146559734

IUPAC7-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol
SMILESOc1ccc2c3c(cnc2c1)-c1cccc(Cl)c1OC3c1ccc(OCCN2CC(CF)C2)cc1
InChIInChI=1S/C28H24ClFN2O3/c29-24-3-1-2-21-23-14-31-25-12-19(33)6-9-22(25)26(23)27(35-28(21)24)18-4-7-20(8-5-18)34-11-10-32-15-17(13-30)16-32/h1-9,12,14,17,27,33H,10-11,13,15-16H2
InChIKeyWPFXKSQRNMAJGV-UHFFFAOYSA-N
MW490.96 g/mol
LogP6.02
Rot. Bonds6

About 7-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol

7-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol (PubChem CID 146559734) has the molecular formula C28H24ClFN2O3 and a molecular weight of 490.96 g/mol. Its IUPAC name is 7-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol.

Molecular Properties

Compound Name7-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol
PubChem CID146559734
Molecular FormulaC28H24ClFN2O3
Molecular Weight490.96 g/mol
Exact Mass490.15
IUPAC Name7-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol
SMILESOc1ccc2c3c(cnc2c1)-c1cccc(Cl)c1OC3c1ccc(OCCN2CC(CF)C2)cc1
InChIInChI=1S/C28H24ClFN2O3/c29-24-3-1-2-21-23-14-31-25-12-19(33)6-9-22(25)26(23)27(35-28(21)24)18-4-7-20(8-5-18)34-11-10-32-15-17(13-30)16-32/h1-9,12,14,17,27,33H,10-11,13,15-16H2
InChIKeyWPFXKSQRNMAJGV-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 7-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol with MolForge

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Related Compounds

Imlunestrant
CID 146603228
US10654866, Example 1
CID 146559745
US10654866, Example 4A
CID 146603225
US10654866, Example 1B
CID 146603230
US10654866, Example 8A
CID 146603236
US11117902, Example 3B
CID 146603260
US10654866, Example 8B
CID 146603261
US10654866, Example 2A
CID 146603269
US10654866, Example 2B
CID 146603270
US10654866, Example 3B
CID 146603325
US10654866, Example 4B
CID 146603327
US10654866, Example 2
CID 146559732

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol?
The IUPAC name of 7-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol (CID 146559734) is 7-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 7-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol?
The canonical SMILES for 7-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol is Oc1ccc2c3c(cnc2c1)-c1cccc(Cl)c1OC3c1ccc(OCCN2CC(CF)C2)cc1.
What is the InChIKey of 7-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol?
The InChIKey is WPFXKSQRNMAJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClFN2O3/c29-24-3-1-2-21-23-14-31-25-12-19(33)6-9-22(25)26(23)27(35-28(21)24)18-4-7-20(8-5-18)34-11-10-32-15-17(13-30)16-32/h1-9,12,14,17,27,33H,10-11,13,15-16H2.
What are the key properties of 7-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol?
7-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 7-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol is sourced from PubChem (CID 146559734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).