6-chloro-1'-[(2-methyl-1H-indol-5-yl)methyl]spiro[3H-chromene-2,3'-azetidine]-4-one

C21H19ClN2O2 — CID 156755401

IUPAC6-chloro-1'-[(2-methyl-1H-indol-5-yl)methyl]spiro[3H-chromene-2,3'-azetidine]-4-one
SMILESCc1cc2cc(CN3CC4(CC(=O)c5cc(Cl)ccc5O4)C3)ccc2[nH]1
InChIInChI=1S/C21H19ClN2O2/c1-13-6-15-7-14(2-4-18(15)23-13)10-24-11-21(12-24)9-19(25)17-8-16(22)3-5-20(17)26-21/h2-8,23H,9-12H2,1H3
InChIKeyLBSFVPKXSWSFCR-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.35
Rot. Bonds2

About 6-chloro-1'-[(2-methyl-1H-indol-5-yl)methyl]spiro[3H-chromene-2,3'-azetidine]-4-one

6-chloro-1'-[(2-methyl-1H-indol-5-yl)methyl]spiro[3H-chromene-2,3'-azetidine]-4-one (PubChem CID 156755401) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 6-chloro-1'-[(2-methyl-1H-indol-5-yl)methyl]spiro[3H-chromene-2,3'-azetidine]-4-one.

Molecular Properties

Compound Name6-chloro-1'-[(2-methyl-1H-indol-5-yl)methyl]spiro[3H-chromene-2,3'-azetidine]-4-one
PubChem CID156755401
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name6-chloro-1'-[(2-methyl-1H-indol-5-yl)methyl]spiro[3H-chromene-2,3'-azetidine]-4-one
SMILESCc1cc2cc(CN3CC4(CC(=O)c5cc(Cl)ccc5O4)C3)ccc2[nH]1
InChIInChI=1S/C21H19ClN2O2/c1-13-6-15-7-14(2-4-18(15)23-13)10-24-11-21(12-24)9-19(25)17-8-16(22)3-5-20(17)26-21/h2-8,23H,9-12H2,1H3
InChIKeyLBSFVPKXSWSFCR-UHFFFAOYSA-N
XLogP4.35
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1'-[(2-methyl-1H-indol-5-yl)methyl]spiro[3H-chromene-2,3'-azetidine]-4-one?
The IUPAC name of 6-chloro-1'-[(2-methyl-1H-indol-5-yl)methyl]spiro[3H-chromene-2,3'-azetidine]-4-one (CID 156755401) is 6-chloro-1'-[(2-methyl-1H-indol-5-yl)methyl]spiro[3H-chromene-2,3'-azetidine]-4-one.
What is the SMILES notation for 6-chloro-1'-[(2-methyl-1H-indol-5-yl)methyl]spiro[3H-chromene-2,3'-azetidine]-4-one?
The canonical SMILES for 6-chloro-1'-[(2-methyl-1H-indol-5-yl)methyl]spiro[3H-chromene-2,3'-azetidine]-4-one is Cc1cc2cc(CN3CC4(CC(=O)c5cc(Cl)ccc5O4)C3)ccc2[nH]1.
What is the InChIKey of 6-chloro-1'-[(2-methyl-1H-indol-5-yl)methyl]spiro[3H-chromene-2,3'-azetidine]-4-one?
The InChIKey is LBSFVPKXSWSFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c1-13-6-15-7-14(2-4-18(15)23-13)10-24-11-21(12-24)9-19(25)17-8-16(22)3-5-20(17)26-21/h2-8,23H,9-12H2,1H3.
What are the key properties of 6-chloro-1'-[(2-methyl-1H-indol-5-yl)methyl]spiro[3H-chromene-2,3'-azetidine]-4-one?
6-chloro-1'-[(2-methyl-1H-indol-5-yl)methyl]spiro[3H-chromene-2,3'-azetidine]-4-one has a molecular weight of 366.85 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1'-[(2-methyl-1H-indol-5-yl)methyl]spiro[3H-chromene-2,3'-azetidine]-4-one is sourced from PubChem (CID 156755401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).