6-chloro-4-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]chromen-2-one

C21H18ClNO4 — CID 7953989

IUPAC6-chloro-4-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]chromen-2-one
SMILESCc1cc(=O)oc2cc(OCC(=O)N3c4ccccc4C[C@H]3C)c(Cl)cc12
InChIInChI=1S/C21H18ClNO4/c1-12-7-21(25)27-18-10-19(16(22)9-15(12)18)26-11-20(24)23-13(2)8-14-5-3-4-6-17(14)23/h3-7,9-10,13H,8,11H2,1-2H3/t13-/m1/s1
InChIKeyMIDRKGAFCNTXCO-CYBMUJFWSA-N
MW383.83 g/mol
LogP4.11
Rot. Bonds3

About 6-chloro-4-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]chromen-2-one

6-chloro-4-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]chromen-2-one (PubChem CID 7953989) has the molecular formula C21H18ClNO4 and a molecular weight of 383.83 g/mol. Its IUPAC name is 6-chloro-4-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]chromen-2-one.

Molecular Properties

Compound Name6-chloro-4-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]chromen-2-one
PubChem CID7953989
Molecular FormulaC21H18ClNO4
Molecular Weight383.83 g/mol
Exact Mass383.09
IUPAC Name6-chloro-4-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]chromen-2-one
SMILESCc1cc(=O)oc2cc(OCC(=O)N3c4ccccc4C[C@H]3C)c(Cl)cc12
InChIInChI=1S/C21H18ClNO4/c1-12-7-21(25)27-18-10-19(16(22)9-15(12)18)26-11-20(24)23-13(2)8-14-5-3-4-6-17(14)23/h3-7,9-10,13H,8,11H2,1-2H3/t13-/m1/s1
InChIKeyMIDRKGAFCNTXCO-CYBMUJFWSA-N
XLogP4.11
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.83
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 23960161
2-(4-chloro-3,5-dimethylphenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 5076814
2-(4-chloro-3,5-dimethylphenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 903888
6-chloro-4-methyl-7-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one
CID 7954018
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenoxy)ethanone
CID 19798381
6-chloro-4-methyl-7-(2-oxo-2-pyrrolidin-1-ylethoxy)chromen-2-one
CID 7468971
ethyl 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetate
CID 782904
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 2429810
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7468906
tert-butyl 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetate
CID 854694
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylacetamide
CID 43033048
6-chloro-4-methyl-7-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]chromen-2-one
CID 8505671

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]chromen-2-one?
The IUPAC name of 6-chloro-4-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]chromen-2-one (CID 7953989) is 6-chloro-4-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]chromen-2-one.
What is the SMILES notation for 6-chloro-4-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]chromen-2-one?
The canonical SMILES for 6-chloro-4-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]chromen-2-one is Cc1cc(=O)oc2cc(OCC(=O)N3c4ccccc4C[C@H]3C)c(Cl)cc12.
What is the InChIKey of 6-chloro-4-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]chromen-2-one?
The InChIKey is MIDRKGAFCNTXCO-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H18ClNO4/c1-12-7-21(25)27-18-10-19(16(22)9-15(12)18)26-11-20(24)23-13(2)8-14-5-3-4-6-17(14)23/h3-7,9-10,13H,8,11H2,1-2H3/t13-/m1/s1.
What are the key properties of 6-chloro-4-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]chromen-2-one?
6-chloro-4-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]chromen-2-one has a molecular weight of 383.83 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]chromen-2-one is sourced from PubChem (CID 7953989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).