methyl 3-(7,8-dimethyl-11-propylindeno[1,2-b]quinoxalin-11-yl)propanoate

C24H26N2O2 — CID 169031689

IUPACmethyl 3-(7,8-dimethyl-11-propylindeno[1,2-b]quinoxalin-11-yl)propanoate
SMILESCCCC1(CCC(=O)OC)c2ccccc2-c2nc3cc(C)c(C)cc3nc21
InChIInChI=1S/C24H26N2O2/c1-5-11-24(12-10-21(27)28-4)18-9-7-6-8-17(18)22-23(24)26-20-14-16(3)15(2)13-19(20)25-22/h6-9,13-14H,5,10-12H2,1-4H3
InChIKeyIGDXAPZFZNOALU-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.27
Rot. Bonds5

About methyl 3-(7,8-dimethyl-11-propylindeno[1,2-b]quinoxalin-11-yl)propanoate

methyl 3-(7,8-dimethyl-11-propylindeno[1,2-b]quinoxalin-11-yl)propanoate (PubChem CID 169031689) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is methyl 3-(7,8-dimethyl-11-propylindeno[1,2-b]quinoxalin-11-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(7,8-dimethyl-11-propylindeno[1,2-b]quinoxalin-11-yl)propanoate
PubChem CID169031689
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Namemethyl 3-(7,8-dimethyl-11-propylindeno[1,2-b]quinoxalin-11-yl)propanoate
SMILESCCCC1(CCC(=O)OC)c2ccccc2-c2nc3cc(C)c(C)cc3nc21
InChIInChI=1S/C24H26N2O2/c1-5-11-24(12-10-21(27)28-4)18-9-7-6-8-17(18)22-23(24)26-20-14-16(3)15(2)13-19(20)25-22/h6-9,13-14H,5,10-12H2,1-4H3
InChIKeyIGDXAPZFZNOALU-UHFFFAOYSA-N
XLogP5.27
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl 3-[11-(3-oxo-3-phenoxypropyl)indeno[1,2-b]quinoxalin-11-yl]propanoate
CID 167025776
methyl 2-[11-[[11-(2-methoxy-2-oxoethyl)indeno[1,2-b]quinoxalin-11-yl]methyl]indeno[1,2-b]quinoxalin-11-yl]acetate
CID 167026199
methyl 3-[2,3-dicyano-9-[[(9R)-2,3-dicyano-9-(3-methoxy-3-oxopropyl)indeno[1,2-b]pyrazin-9-yl]methyl]indeno[1,2-b]pyrazin-9-yl]propanoate
CID 167025801
methyl 3-(9-octylfluoren-9-yl)propanoate
CID 58637208
3-[11-(2-carboxyethyl)-8-fluoroindeno[1,2-b]quinoxalin-11-yl]propanoic acid
CID 170115255
2-[3-[7-fluoro-11-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]indeno[1,2-b]quinoxalin-11-yl]propanoyloxy]ethyl 2-methylprop-2-enoate
CID 168800315
methyl 3-[2-chloro-11-[(2-chloro-11-propylindeno[1,2-b]quinolin-11-yl)methyl]indeno[1,2-b]quinolin-11-yl]propanoate
CID 164705475
ethyl 3-[11-[[11-(3-ethoxy-2-methyl-3-oxopropyl)indeno[1,2-b]quinoxalin-11-yl]methyl]indeno[1,2-b]quinoxalin-11-yl]-2-methylpropanoate
CID 163874097
2-[11-[2-(2-methylprop-2-enoyloxy)ethyl]indeno[1,2-b]quinoxalin-11-yl]ethyl 2-methylprop-2-enoate
CID 168800313
4-[11-(3-oxobutyl)indeno[1,2-b]quinolin-11-yl]butan-2-one
CID 163648213
2-[2-[[7,8-dichloro-11-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]indeno[1,2-b]quinoxalin-11-yl]methyl]-3-oxopropoxy]ethyl 2-methylprop-2-enoate
CID 167210497
hexakis(carbon dioxide);ethyl 3-[(11S)-11-[[(11R)-11-butylindeno[1,2-b]quinolin-11-yl]methyl]indeno[1,2-b]quinolin-11-yl]propanoate;ethyl 2-[(11R)-11-[[(11R)-11-propylindeno[1,2-b]quinolin-11-yl]methyl]indeno[1,2-b]quinolin-11-yl]acetate;methyl 2-[(11R)-11-[[(11R)-11-ethylindeno[1,2-b]quinolin-11-yl]methyl]indeno[1,2-b]quinolin-11-yl]acetate;methyl 3-[(11S)-11-[[(11R)-11-propylindeno[1,2-b]quinolin-11-yl]methyl]indeno[1,2-b]quinolin-11-yl]propanoate;phenyl 2-[(11R)-11-[[(11R)-11-benzylindeno[1,2-b]quinolin-11-yl]methyl]indeno[1,2-b]quinolin-11-yl]acetate;phenyl 3-[(11S)-11-[[(11R)-11-(2-phenylethyl)indeno[1,2-b]quinolin-11-yl]methyl]indeno[1,2-b]quinolin-11-yl]propanoate
CID 163839122

Frequently Asked Questions

What is the IUPAC name of methyl 3-(7,8-dimethyl-11-propylindeno[1,2-b]quinoxalin-11-yl)propanoate?
The IUPAC name of methyl 3-(7,8-dimethyl-11-propylindeno[1,2-b]quinoxalin-11-yl)propanoate (CID 169031689) is methyl 3-(7,8-dimethyl-11-propylindeno[1,2-b]quinoxalin-11-yl)propanoate.
What is the SMILES notation for methyl 3-(7,8-dimethyl-11-propylindeno[1,2-b]quinoxalin-11-yl)propanoate?
The canonical SMILES for methyl 3-(7,8-dimethyl-11-propylindeno[1,2-b]quinoxalin-11-yl)propanoate is CCCC1(CCC(=O)OC)c2ccccc2-c2nc3cc(C)c(C)cc3nc21.
What is the InChIKey of methyl 3-(7,8-dimethyl-11-propylindeno[1,2-b]quinoxalin-11-yl)propanoate?
The InChIKey is IGDXAPZFZNOALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-5-11-24(12-10-21(27)28-4)18-9-7-6-8-17(18)22-23(24)26-20-14-16(3)15(2)13-19(20)25-22/h6-9,13-14H,5,10-12H2,1-4H3.
What are the key properties of methyl 3-(7,8-dimethyl-11-propylindeno[1,2-b]quinoxalin-11-yl)propanoate?
methyl 3-(7,8-dimethyl-11-propylindeno[1,2-b]quinoxalin-11-yl)propanoate has a molecular weight of 374.48 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(7,8-dimethyl-11-propylindeno[1,2-b]quinoxalin-11-yl)propanoate is sourced from PubChem (CID 169031689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).