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

C28H24ClFN2O3 — CID 146603225

IUPAC(5R)-7-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol
SMILESOc1ccc2c3c(cnc2c1)-c1cccc(Cl)c1O[C@@H]3c1ccc(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/t27-/m1/s1
InChIKeyWPFXKSQRNMAJGV-HHHXNRCGSA-N
MW490.96 g/mol
LogP6.02
Rot. Bonds6

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

(5R)-7-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol (PubChem CID 146603225) has the molecular formula C28H24ClFN2O3 and a molecular weight of 490.96 g/mol. Its IUPAC name is (5R)-7-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol.

Molecular Properties

Compound Name(5R)-7-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol
PubChem CID146603225
Molecular FormulaC28H24ClFN2O3
Molecular Weight490.96 g/mol
Exact Mass490.15
IUPAC Name(5R)-7-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol
SMILESOc1ccc2c3c(cnc2c1)-c1cccc(Cl)c1O[C@@H]3c1ccc(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/t27-/m1/s1
InChIKeyWPFXKSQRNMAJGV-HHHXNRCGSA-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

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Frequently Asked Questions

What is the IUPAC name of (5R)-7-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol?
The IUPAC name of (5R)-7-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol (CID 146603225) is (5R)-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 (5R)-7-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol?
The canonical SMILES for (5R)-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)c1O[C@@H]3c1ccc(OCCN2CC(CF)C2)cc1.
What is the InChIKey of (5R)-7-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol?
The InChIKey is WPFXKSQRNMAJGV-HHHXNRCGSA-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/t27-/m1/s1.
What are the key properties of (5R)-7-chloro-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-5H-chromeno[4,3-c]quinolin-2-ol?
(5R)-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 (5R)-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 146603225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).