(2S,4S)-4-[(4-chlorophenoxy)methyl]-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one

C22H23ClN2O5 — CID 1273808

IUPAC(2S,4S)-4-[(4-chlorophenoxy)methyl]-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C1N(CN2CCOCC2)c2ccccc2[C@@]12OC[C@H](COc1ccc(Cl)cc1)O2
InChIInChI=1S/C22H23ClN2O5/c23-16-5-7-17(8-6-16)28-13-18-14-29-22(30-18)19-3-1-2-4-20(19)25(21(22)26)15-24-9-11-27-12-10-24/h1-8,18H,9-15H2/t18-,22-/m0/s1
InChIKeyHSRQKNLJNNFPDB-AVRDEDQJSA-N
MW430.89 g/mol
LogP2.62
Rot. Bonds5

About (2S,4S)-4-[(4-chlorophenoxy)methyl]-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one

(2S,4S)-4-[(4-chlorophenoxy)methyl]-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 1273808) has the molecular formula C22H23ClN2O5 and a molecular weight of 430.89 g/mol. Its IUPAC name is (2S,4S)-4-[(4-chlorophenoxy)methyl]-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name(2S,4S)-4-[(4-chlorophenoxy)methyl]-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID1273808
Molecular FormulaC22H23ClN2O5
Molecular Weight430.89 g/mol
Exact Mass430.13
IUPAC Name(2S,4S)-4-[(4-chlorophenoxy)methyl]-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C1N(CN2CCOCC2)c2ccccc2[C@@]12OC[C@H](COc1ccc(Cl)cc1)O2
InChIInChI=1S/C22H23ClN2O5/c23-16-5-7-17(8-6-16)28-13-18-14-29-22(30-18)19-3-1-2-4-20(19)25(21(22)26)15-24-9-11-27-12-10-24/h1-8,18H,9-15H2/t18-,22-/m0/s1
InChIKeyHSRQKNLJNNFPDB-AVRDEDQJSA-N
XLogP2.62
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.89
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-[(4-chlorophenoxy)methyl]-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of (2S,4S)-4-[(4-chlorophenoxy)methyl]-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 1273808) is (2S,4S)-4-[(4-chlorophenoxy)methyl]-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for (2S,4S)-4-[(4-chlorophenoxy)methyl]-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for (2S,4S)-4-[(4-chlorophenoxy)methyl]-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one is O=C1N(CN2CCOCC2)c2ccccc2[C@@]12OC[C@H](COc1ccc(Cl)cc1)O2.
What is the InChIKey of (2S,4S)-4-[(4-chlorophenoxy)methyl]-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is HSRQKNLJNNFPDB-AVRDEDQJSA-N. The full InChI is InChI=1S/C22H23ClN2O5/c23-16-5-7-17(8-6-16)28-13-18-14-29-22(30-18)19-3-1-2-4-20(19)25(21(22)26)15-24-9-11-27-12-10-24/h1-8,18H,9-15H2/t18-,22-/m0/s1.
What are the key properties of (2S,4S)-4-[(4-chlorophenoxy)methyl]-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
(2S,4S)-4-[(4-chlorophenoxy)methyl]-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 430.89 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-[(4-chlorophenoxy)methyl]-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 1273808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).