ethyl 2,6-dimethyl-5,6-dihydrobenzo[h]quinoline-3-carboxylate

C18H19NO2 — CID 115917517

IUPACethyl 2,6-dimethyl-5,6-dihydrobenzo[h]quinoline-3-carboxylate
SMILESCCOC(=O)c1cc2c(nc1C)-c1ccccc1C(C)C2
InChIInChI=1S/C18H19NO2/c1-4-21-18(20)16-10-13-9-11(2)14-7-5-6-8-15(14)17(13)19-12(16)3/h5-8,10-11H,4,9H2,1-3H3
InChIKeyBFWQEYXUMFENCX-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.89
Rot. Bonds2

About ethyl 2,6-dimethyl-5,6-dihydrobenzo[h]quinoline-3-carboxylate

ethyl 2,6-dimethyl-5,6-dihydrobenzo[h]quinoline-3-carboxylate (PubChem CID 115917517) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is ethyl 2,6-dimethyl-5,6-dihydrobenzo[h]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,6-dimethyl-5,6-dihydrobenzo[h]quinoline-3-carboxylate
PubChem CID115917517
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Nameethyl 2,6-dimethyl-5,6-dihydrobenzo[h]quinoline-3-carboxylate
SMILESCCOC(=O)c1cc2c(nc1C)-c1ccccc1C(C)C2
InChIInChI=1S/C18H19NO2/c1-4-21-18(20)16-10-13-9-11(2)14-7-5-6-8-15(14)17(13)19-12(16)3/h5-8,10-11H,4,9H2,1-3H3
InChIKeyBFWQEYXUMFENCX-UHFFFAOYSA-N
XLogP3.89
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-hydroxy-4-methyl-3,4-dihydronaphthalene-1-carboxylate
CID 142632126
ethyl 1-amino-3-methyl-3,4-dihydronaphthalene-2-carboxylate
CID 10911403
ethyl 7-methyl-2,3,4a,5,10,10a-hexahydro-[1,4]dioxino[2,3-g]quinoline-8-carboxylate
CID 70226520
ethyl 2-cyclopropylbenzoate
CID 118105330
ethyl 8-fluoro-2-methylquinoline-3-carboxylate
CID 86767447
ethyl 2-methyl-6-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate
CID 112561915
ethyl 5-(5,6-diphenyl-1,2,4-triazin-3-yl)-2,6-dimethylpyridine-3-carboxylate
CID 139072856
ethyl 5,6-diamino-2-methylpyridine-3-carboxylate
CID 170959467
ethyl 2-cyclobutylbenzoate
CID 106942755
ethyl 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methyl-1,3-oxazole-5-carboxylate
CID 66395605
ethyl 4-methyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene-5-carboxylate
CID 86059330
ethyl 3-hydroxy-2,3-dihydro-1H-indene-4-carboxylate
CID 23591011

Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-dimethyl-5,6-dihydrobenzo[h]quinoline-3-carboxylate?
The IUPAC name of ethyl 2,6-dimethyl-5,6-dihydrobenzo[h]quinoline-3-carboxylate (CID 115917517) is ethyl 2,6-dimethyl-5,6-dihydrobenzo[h]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 2,6-dimethyl-5,6-dihydrobenzo[h]quinoline-3-carboxylate?
The canonical SMILES for ethyl 2,6-dimethyl-5,6-dihydrobenzo[h]quinoline-3-carboxylate is CCOC(=O)c1cc2c(nc1C)-c1ccccc1C(C)C2.
What is the InChIKey of ethyl 2,6-dimethyl-5,6-dihydrobenzo[h]quinoline-3-carboxylate?
The InChIKey is BFWQEYXUMFENCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-4-21-18(20)16-10-13-9-11(2)14-7-5-6-8-15(14)17(13)19-12(16)3/h5-8,10-11H,4,9H2,1-3H3.
What are the key properties of ethyl 2,6-dimethyl-5,6-dihydrobenzo[h]quinoline-3-carboxylate?
ethyl 2,6-dimethyl-5,6-dihydrobenzo[h]quinoline-3-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-dimethyl-5,6-dihydrobenzo[h]quinoline-3-carboxylate is sourced from PubChem (CID 115917517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).