ethyl 4-(N-acetylanilino)-1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinoline-2-carboxylate

C28H28N2O5 — CID 68918793

IUPACethyl 4-(N-acetylanilino)-1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinoline-2-carboxylate
SMILESCCOC(=O)C1CC(N(C(C)=O)c2ccccc2)c2ccccc2N1C(=O)c1cccc(OC)c1
InChIInChI=1S/C28H28N2O5/c1-4-35-28(33)26-18-25(29(19(2)31)21-12-6-5-7-13-21)23-15-8-9-16-24(23)30(26)27(32)20-11-10-14-22(17-20)34-3/h5-17,25-26H,4,18H2,1-3H3
InChIKeyWSNZCOWYFWESMF-UHFFFAOYSA-N
MW472.54 g/mol
LogP4.77
Rot. Bonds6

About ethyl 4-(N-acetylanilino)-1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinoline-2-carboxylate

ethyl 4-(N-acetylanilino)-1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinoline-2-carboxylate (PubChem CID 68918793) has the molecular formula C28H28N2O5 and a molecular weight of 472.54 g/mol. Its IUPAC name is ethyl 4-(N-acetylanilino)-1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(N-acetylanilino)-1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinoline-2-carboxylate
PubChem CID68918793
Molecular FormulaC28H28N2O5
Molecular Weight472.54 g/mol
Exact Mass472.20
IUPAC Nameethyl 4-(N-acetylanilino)-1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinoline-2-carboxylate
SMILESCCOC(=O)C1CC(N(C(C)=O)c2ccccc2)c2ccccc2N1C(=O)c1cccc(OC)c1
InChIInChI=1S/C28H28N2O5/c1-4-35-28(33)26-18-25(29(19(2)31)21-12-6-5-7-13-21)23-15-8-9-16-24(23)30(26)27(32)20-11-10-14-22(17-20)34-3/h5-17,25-26H,4,18H2,1-3H3
InChIKeyWSNZCOWYFWESMF-UHFFFAOYSA-N
XLogP4.77
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(N-acetylanilino)-1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinoline-2-carboxylate with MolForge

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Related Compounds

N-[(2R,4S)-2-ethyl-1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 10387869
N-[(2S,4S)-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 7097678
ethyl (2S,4S)-4-(N-acetylanilino)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-2-carboxylate
CID 68924334
N-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-(3-methoxyphenyl)acetamide
CID 19576143
N-[1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 21092960
N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-methoxy-N-phenylbenzamide
CID 1041001
N-[(2R,4S)-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-pyridin-2-ylacetamide
CID 21093025
(2S,4S)-4-(N-acetylanilino)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-2-carboxylic acid
CID 21092994
ethyl 2-[4-[acetyl-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]phenyl]acetate
CID 69425424
N-[1-[(3-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 58859976
N-[(2R,4S)-6-chloro-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-chlorophenyl)acetamide
CID 21093186
3-methoxy-N-[(2R,4R)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
CID 2302424

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(N-acetylanilino)-1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinoline-2-carboxylate?
The IUPAC name of ethyl 4-(N-acetylanilino)-1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinoline-2-carboxylate (CID 68918793) is ethyl 4-(N-acetylanilino)-1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinoline-2-carboxylate.
What is the SMILES notation for ethyl 4-(N-acetylanilino)-1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinoline-2-carboxylate?
The canonical SMILES for ethyl 4-(N-acetylanilino)-1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinoline-2-carboxylate is CCOC(=O)C1CC(N(C(C)=O)c2ccccc2)c2ccccc2N1C(=O)c1cccc(OC)c1.
What is the InChIKey of ethyl 4-(N-acetylanilino)-1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinoline-2-carboxylate?
The InChIKey is WSNZCOWYFWESMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O5/c1-4-35-28(33)26-18-25(29(19(2)31)21-12-6-5-7-13-21)23-15-8-9-16-24(23)30(26)27(32)20-11-10-14-22(17-20)34-3/h5-17,25-26H,4,18H2,1-3H3.
What are the key properties of ethyl 4-(N-acetylanilino)-1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinoline-2-carboxylate?
ethyl 4-(N-acetylanilino)-1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinoline-2-carboxylate has a molecular weight of 472.54 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(N-acetylanilino)-1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinoline-2-carboxylate is sourced from PubChem (CID 68918793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).