ethyl 1,2-dihydrobenzo[h]quinoline-3-carboxylate

C16H15NO2 — CID 71527325

IUPACethyl 1,2-dihydrobenzo[h]quinoline-3-carboxylate
SMILESCCOC(=O)C1=Cc2ccc3ccccc3c2NC1
InChIInChI=1S/C16H15NO2/c1-2-19-16(18)13-9-12-8-7-11-5-3-4-6-14(11)15(12)17-10-13/h3-9,17H,2,10H2,1H3
InChIKeyXPYACVPXVKJERW-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.21
Rot. Bonds2

About ethyl 1,2-dihydrobenzo[h]quinoline-3-carboxylate

ethyl 1,2-dihydrobenzo[h]quinoline-3-carboxylate (PubChem CID 71527325) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 1,2-dihydrobenzo[h]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,2-dihydrobenzo[h]quinoline-3-carboxylate
PubChem CID71527325
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Nameethyl 1,2-dihydrobenzo[h]quinoline-3-carboxylate
SMILESCCOC(=O)C1=Cc2ccc3ccccc3c2NC1
InChIInChI=1S/C16H15NO2/c1-2-19-16(18)13-9-12-8-7-11-5-3-4-6-14(11)15(12)17-10-13/h3-9,17H,2,10H2,1H3
InChIKeyXPYACVPXVKJERW-UHFFFAOYSA-N
XLogP3.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1H-indene-2-carboxylate
CID 15378309
tetraethyl octacyclo[16.16.0.02,15.05,14.06,11.019,32.022,31.023,28]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene-3,4,20,21-tetracarboxylate
CID 134962471
ethyl acetate;phenanthrene
CID 160726264
ethyl chrysene-1-carboxylate
CID 86251232
ethyl 5-fluoro-6-methyl-1,2-dihydroquinoline-3-carboxylate
CID 71527214
ethyl 2-methyl-3H-1-benzazepine-4-carboxylate
CID 16751993
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572
triethyl pyrene-1,2,3-tricarboxylate
CID 10093467
ethyl 2,3-dihydro-1-benzothiepine-4-carboxylate
CID 11481719
ethyl 2-phenyl-1,2,3,6-tetrahydropyridine-5-carboxylate
CID 73015655
ethyl 2,3-dimethylbenzo[e]indole-1-carboxylate
CID 170074129
ethyl benzo[e][1]benzofuran-2-carboxylate
CID 738036

Frequently Asked Questions

What is the IUPAC name of ethyl 1,2-dihydrobenzo[h]quinoline-3-carboxylate?
The IUPAC name of ethyl 1,2-dihydrobenzo[h]quinoline-3-carboxylate (CID 71527325) is ethyl 1,2-dihydrobenzo[h]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 1,2-dihydrobenzo[h]quinoline-3-carboxylate?
The canonical SMILES for ethyl 1,2-dihydrobenzo[h]quinoline-3-carboxylate is CCOC(=O)C1=Cc2ccc3ccccc3c2NC1.
What is the InChIKey of ethyl 1,2-dihydrobenzo[h]quinoline-3-carboxylate?
The InChIKey is XPYACVPXVKJERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-2-19-16(18)13-9-12-8-7-11-5-3-4-6-14(11)15(12)17-10-13/h3-9,17H,2,10H2,1H3.
What are the key properties of ethyl 1,2-dihydrobenzo[h]quinoline-3-carboxylate?
ethyl 1,2-dihydrobenzo[h]quinoline-3-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2-dihydrobenzo[h]quinoline-3-carboxylate is sourced from PubChem (CID 71527325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).