ethyl 2-[2-chloro-11-(2-ethoxy-2-oxoethyl)indeno[1,2-b]quinolin-11-yl]acetate

C24H22ClNO4 — CID 167026220

IUPACethyl 2-[2-chloro-11-(2-ethoxy-2-oxoethyl)indeno[1,2-b]quinolin-11-yl]acetate
SMILESCCOC(=O)CC1(CC(=O)OCC)c2cc(Cl)ccc2-c2nc3ccccc3cc21
InChIInChI=1S/C24H22ClNO4/c1-3-29-21(27)13-24(14-22(28)30-4-2)18-12-16(25)9-10-17(18)23-19(24)11-15-7-5-6-8-20(15)26-23/h5-12H,3-4,13-14H2,1-2H3
InChIKeyXVBKLDBDNPMFQE-UHFFFAOYSA-N
MW423.90 g/mol
LogP5.06
Rot. Bonds6

About ethyl 2-[2-chloro-11-(2-ethoxy-2-oxoethyl)indeno[1,2-b]quinolin-11-yl]acetate

ethyl 2-[2-chloro-11-(2-ethoxy-2-oxoethyl)indeno[1,2-b]quinolin-11-yl]acetate (PubChem CID 167026220) has the molecular formula C24H22ClNO4 and a molecular weight of 423.90 g/mol. Its IUPAC name is ethyl 2-[2-chloro-11-(2-ethoxy-2-oxoethyl)indeno[1,2-b]quinolin-11-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-chloro-11-(2-ethoxy-2-oxoethyl)indeno[1,2-b]quinolin-11-yl]acetate
PubChem CID167026220
Molecular FormulaC24H22ClNO4
Molecular Weight423.90 g/mol
Exact Mass423.12
IUPAC Nameethyl 2-[2-chloro-11-(2-ethoxy-2-oxoethyl)indeno[1,2-b]quinolin-11-yl]acetate
SMILESCCOC(=O)CC1(CC(=O)OCC)c2cc(Cl)ccc2-c2nc3ccccc3cc21
InChIInChI=1S/C24H22ClNO4/c1-3-29-21(27)13-24(14-22(28)30-4-2)18-12-16(25)9-10-17(18)23-19(24)11-15-7-5-6-8-20(15)26-23/h5-12H,3-4,13-14H2,1-2H3
InChIKeyXVBKLDBDNPMFQE-UHFFFAOYSA-N
XLogP5.06
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.90
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[2-chloro-11-(2-ethoxy-2-oxoethyl)indeno[1,2-b]quinolin-11-yl]acetate with MolForge

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Related Compounds

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-[12-[[12-[[12-(3-ethoxy-3-oxopropyl)-21-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl]methyl]-21-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl]methyl]-21-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl]propanoate
CID 167025875
phenyl 2-[11-[[11-[(11-benzylindeno[1,2-b]quinolin-11-yl)methyl]indeno[1,2-b]quinolin-11-yl]methyl]indeno[1,2-b]quinolin-11-yl]acetate
CID 164705563
3-[11-(2-carboxyethyl)indeno[1,2-b]quinolin-11-yl]propanoic acid
CID 1248929
3-[12-(2-carboxypropyl)-3-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-yl]-2-methylpropanoic acid
CID 167025775
ethyl 3-[(12S)-12-[[(12R)-12-[[(12R)-12-butyl-21-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl]methyl]-21-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl]methyl]-21-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl]propanoate
CID 163871305
chlorobenzene;ethyl 2-hydroxyacetate
CID 174326812
ethyl 4-(3-hydroxyquinolin-2-yl)-4-oxobutanoate
CID 167491857
ethyl 2-(3-chloro-9-hydroperoxy-10-oxoanthracen-9-yl)oxyacetate
CID 156632204
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
ethyl 2-cinnolin-3-ylacetate
CID 150533502
ethyl 3-amino-3-quinolin-2-ylpropanoate
CID 64955956

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-chloro-11-(2-ethoxy-2-oxoethyl)indeno[1,2-b]quinolin-11-yl]acetate?
The IUPAC name of ethyl 2-[2-chloro-11-(2-ethoxy-2-oxoethyl)indeno[1,2-b]quinolin-11-yl]acetate (CID 167026220) is ethyl 2-[2-chloro-11-(2-ethoxy-2-oxoethyl)indeno[1,2-b]quinolin-11-yl]acetate.
What is the SMILES notation for ethyl 2-[2-chloro-11-(2-ethoxy-2-oxoethyl)indeno[1,2-b]quinolin-11-yl]acetate?
The canonical SMILES for ethyl 2-[2-chloro-11-(2-ethoxy-2-oxoethyl)indeno[1,2-b]quinolin-11-yl]acetate is CCOC(=O)CC1(CC(=O)OCC)c2cc(Cl)ccc2-c2nc3ccccc3cc21.
What is the InChIKey of ethyl 2-[2-chloro-11-(2-ethoxy-2-oxoethyl)indeno[1,2-b]quinolin-11-yl]acetate?
The InChIKey is XVBKLDBDNPMFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClNO4/c1-3-29-21(27)13-24(14-22(28)30-4-2)18-12-16(25)9-10-17(18)23-19(24)11-15-7-5-6-8-20(15)26-23/h5-12H,3-4,13-14H2,1-2H3.
What are the key properties of ethyl 2-[2-chloro-11-(2-ethoxy-2-oxoethyl)indeno[1,2-b]quinolin-11-yl]acetate?
ethyl 2-[2-chloro-11-(2-ethoxy-2-oxoethyl)indeno[1,2-b]quinolin-11-yl]acetate has a molecular weight of 423.90 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-chloro-11-(2-ethoxy-2-oxoethyl)indeno[1,2-b]quinolin-11-yl]acetate is sourced from PubChem (CID 167026220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).