ethyl 1-(furan-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate

C17H17NO4 — CID 71919929

IUPACethyl 1-(furan-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccco1
InChIInChI=1S/C17H17NO4/c1-2-21-17(20)13-7-8-14-12(11-13)5-3-9-18(14)16(19)15-6-4-10-22-15/h4,6-8,10-11H,2-3,5,9H2,1H3
InChIKeySHQDZKAHIUPDRE-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.05
Rot. Bonds3

About ethyl 1-(furan-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate

ethyl 1-(furan-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate (PubChem CID 71919929) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is ethyl 1-(furan-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 1-(furan-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate
PubChem CID71919929
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Nameethyl 1-(furan-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccco1
InChIInChI=1S/C17H17NO4/c1-2-21-17(20)13-7-8-14-12(11-13)5-3-9-18(14)16(19)15-6-4-10-22-15/h4,6-8,10-11H,2-3,5,9H2,1H3
InChIKeySHQDZKAHIUPDRE-UHFFFAOYSA-N
XLogP3.05
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

furan-2-yl-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 164578193
4-ethoxy-N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517320
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-methylbenzamide
CID 7517345
ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]benzoate
CID 110672918
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5-methylthiophene-2-sulfonamide
CID 7498873
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-(4-phenylphenyl)acetamide
CID 16834590
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methoxybenzenesulfonamide
CID 171347084
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-methoxyacetamide
CID 7517324
(8-amino-3,4-dihydro-2H-quinolin-1-yl)-(furan-2-yl)methanone
CID 82084861
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2,3-dimethoxybenzamide
CID 7498597
methyl 1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]-2,3-dihydroindole-5-carboxylate
CID 55514688
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-propan-2-yloxybenzamide
CID 7517282

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(furan-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate?
The IUPAC name of ethyl 1-(furan-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate (CID 71919929) is ethyl 1-(furan-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate.
What is the SMILES notation for ethyl 1-(furan-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate?
The canonical SMILES for ethyl 1-(furan-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate is CCOC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccco1.
What is the InChIKey of ethyl 1-(furan-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate?
The InChIKey is SHQDZKAHIUPDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-2-21-17(20)13-7-8-14-12(11-13)5-3-9-18(14)16(19)15-6-4-10-22-15/h4,6-8,10-11H,2-3,5,9H2,1H3.
What are the key properties of ethyl 1-(furan-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate?
ethyl 1-(furan-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate has a molecular weight of 299.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(furan-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate is sourced from PubChem (CID 71919929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).