ethyl 2-methyl-7H-indeno[2,1-c]quinoline-6-carboxylate

C20H17NO2 — CID 14272987

IUPACethyl 2-methyl-7H-indeno[2,1-c]quinoline-6-carboxylate
SMILESCCOC(=O)c1nc2ccc(C)cc2c2c1Cc1ccccc1-2
InChIInChI=1S/C20H17NO2/c1-3-23-20(22)19-16-11-13-6-4-5-7-14(13)18(16)15-10-12(2)8-9-17(15)21-19/h4-10H,3,11H2,1-2H3
InChIKeyVRHXNYIMNHRWFT-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.29
Rot. Bonds2

About ethyl 2-methyl-7H-indeno[2,1-c]quinoline-6-carboxylate

ethyl 2-methyl-7H-indeno[2,1-c]quinoline-6-carboxylate (PubChem CID 14272987) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is ethyl 2-methyl-7H-indeno[2,1-c]quinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-7H-indeno[2,1-c]quinoline-6-carboxylate
PubChem CID14272987
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Nameethyl 2-methyl-7H-indeno[2,1-c]quinoline-6-carboxylate
SMILESCCOC(=O)c1nc2ccc(C)cc2c2c1Cc1ccccc1-2
InChIInChI=1S/C20H17NO2/c1-3-23-20(22)19-16-11-13-6-4-5-7-14(13)18(16)15-10-12(2)8-9-17(15)21-19/h4-10H,3,11H2,1-2H3
InChIKeyVRHXNYIMNHRWFT-UHFFFAOYSA-N
XLogP4.29
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-7H-indeno[2,1-c]quinoline-6-carboxylate?
The IUPAC name of ethyl 2-methyl-7H-indeno[2,1-c]quinoline-6-carboxylate (CID 14272987) is ethyl 2-methyl-7H-indeno[2,1-c]quinoline-6-carboxylate.
What is the SMILES notation for ethyl 2-methyl-7H-indeno[2,1-c]quinoline-6-carboxylate?
The canonical SMILES for ethyl 2-methyl-7H-indeno[2,1-c]quinoline-6-carboxylate is CCOC(=O)c1nc2ccc(C)cc2c2c1Cc1ccccc1-2.
What is the InChIKey of ethyl 2-methyl-7H-indeno[2,1-c]quinoline-6-carboxylate?
The InChIKey is VRHXNYIMNHRWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-3-23-20(22)19-16-11-13-6-4-5-7-14(13)18(16)15-10-12(2)8-9-17(15)21-19/h4-10H,3,11H2,1-2H3.
What are the key properties of ethyl 2-methyl-7H-indeno[2,1-c]quinoline-6-carboxylate?
ethyl 2-methyl-7H-indeno[2,1-c]quinoline-6-carboxylate has a molecular weight of 303.36 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-7H-indeno[2,1-c]quinoline-6-carboxylate is sourced from PubChem (CID 14272987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).