ethyl 4-fluoro-2-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-6-carboxylate

C20H20FNO2 — CID 16738615

IUPACethyl 4-fluoro-2-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-6-carboxylate
SMILESCCOC(=O)C1Nc2c(F)cc(C)cc2C2c3ccccc3CC12
InChIInChI=1S/C20H20FNO2/c1-3-24-20(23)19-15-10-12-6-4-5-7-13(12)17(15)14-8-11(2)9-16(21)18(14)22-19/h4-9,15,17,19,22H,3,10H2,1-2H3
InChIKeyNVUWQTLUUFNIEY-UHFFFAOYSA-N
MW325.38 g/mol
LogP3.80
Rot. Bonds2

About ethyl 4-fluoro-2-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-6-carboxylate

ethyl 4-fluoro-2-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-6-carboxylate (PubChem CID 16738615) has the molecular formula C20H20FNO2 and a molecular weight of 325.38 g/mol. Its IUPAC name is ethyl 4-fluoro-2-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-fluoro-2-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-6-carboxylate
PubChem CID16738615
Molecular FormulaC20H20FNO2
Molecular Weight325.38 g/mol
Exact Mass325.15
IUPAC Nameethyl 4-fluoro-2-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-6-carboxylate
SMILESCCOC(=O)C1Nc2c(F)cc(C)cc2C2c3ccccc3CC12
InChIInChI=1S/C20H20FNO2/c1-3-24-20(23)19-15-10-12-6-4-5-7-13(12)17(15)14-8-11(2)9-16(21)18(14)22-19/h4-9,15,17,19,22H,3,10H2,1-2H3
InChIKeyNVUWQTLUUFNIEY-UHFFFAOYSA-N
XLogP3.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-fluoro-2-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-fluoro-2-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-6-carboxylate?
The IUPAC name of ethyl 4-fluoro-2-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-6-carboxylate (CID 16738615) is ethyl 4-fluoro-2-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-6-carboxylate.
What is the SMILES notation for ethyl 4-fluoro-2-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-6-carboxylate?
The canonical SMILES for ethyl 4-fluoro-2-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-6-carboxylate is CCOC(=O)C1Nc2c(F)cc(C)cc2C2c3ccccc3CC12.
What is the InChIKey of ethyl 4-fluoro-2-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-6-carboxylate?
The InChIKey is NVUWQTLUUFNIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2/c1-3-24-20(23)19-15-10-12-6-4-5-7-13(12)17(15)14-8-11(2)9-16(21)18(14)22-19/h4-9,15,17,19,22H,3,10H2,1-2H3.
What are the key properties of ethyl 4-fluoro-2-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-6-carboxylate?
ethyl 4-fluoro-2-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-6-carboxylate has a molecular weight of 325.38 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-fluoro-2-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-6-carboxylate is sourced from PubChem (CID 16738615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).