ethyl 2-[4-[acetyl-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]phenyl]acetate

C29H30N2O4 — CID 69425424

IUPACethyl 2-[4-[acetyl-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(N(C(C)=O)C2CC(C)N(C(=O)c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C29H30N2O4/c1-4-35-28(33)19-22-14-16-24(17-15-22)31(21(3)32)27-18-20(2)30(26-13-9-8-12-25(26)27)29(34)23-10-6-5-7-11-23/h5-17,20,27H,4,18-19H2,1-3H3
InChIKeyHWEQCPPRPADNQA-UHFFFAOYSA-N
MW470.57 g/mol
LogP5.33
Rot. Bonds6

About ethyl 2-[4-[acetyl-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]phenyl]acetate

ethyl 2-[4-[acetyl-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]phenyl]acetate (PubChem CID 69425424) has the molecular formula C29H30N2O4 and a molecular weight of 470.57 g/mol. Its IUPAC name is ethyl 2-[4-[acetyl-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[acetyl-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]phenyl]acetate
PubChem CID69425424
Molecular FormulaC29H30N2O4
Molecular Weight470.57 g/mol
Exact Mass470.22
IUPAC Nameethyl 2-[4-[acetyl-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(N(C(C)=O)C2CC(C)N(C(=O)c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C29H30N2O4/c1-4-35-28(33)19-22-14-16-24(17-15-22)31(21(3)32)27-18-20(2)30(26-13-9-8-12-25(26)27)29(34)23-10-6-5-7-11-23/h5-17,20,27H,4,18-19H2,1-3H3
InChIKeyHWEQCPPRPADNQA-UHFFFAOYSA-N
XLogP5.33
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[4-[acetyl-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]phenyl]acetate with MolForge

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Related Compounds

N-[(2S,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-hydroxyphenyl)acetamide
CID 69427096
2-[4-[acetyl-[2-methyl-1-(4-propoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]acetic acid
CID 143124405
3-(N-[(2S,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]anilino)-3-oxopropanoic acid
CID 69427262
3-[4-[acetyl-[(4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]propanoic acid
CID 71029107
N-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
CID 58859767
3-[4-[acetyl-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-N,N-dimethylpropanamide
CID 58859661
N-[(2R,4S)-2-methyl-1-(1-oxidopyridin-1-ium-4-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 21100551
ethyl 4-[4-[(2S)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]piperidine-1-carboxylate
CID 68922002
methyl 2-[4-[acetyl-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenoxy]acetate
CID 68921236
N-[(2S,4S)-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 7097678
N-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-(3-methoxyphenyl)acetamide
CID 19576143
ethyl 2-[[5-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]-1,2-oxazol-3-yl]oxy]acetate
CID 86601698

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[acetyl-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[acetyl-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]phenyl]acetate (CID 69425424) is ethyl 2-[4-[acetyl-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[acetyl-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[acetyl-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]phenyl]acetate is CCOC(=O)Cc1ccc(N(C(C)=O)C2CC(C)N(C(=O)c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of ethyl 2-[4-[acetyl-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]phenyl]acetate?
The InChIKey is HWEQCPPRPADNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O4/c1-4-35-28(33)19-22-14-16-24(17-15-22)31(21(3)32)27-18-20(2)30(26-13-9-8-12-25(26)27)29(34)23-10-6-5-7-11-23/h5-17,20,27H,4,18-19H2,1-3H3.
What are the key properties of ethyl 2-[4-[acetyl-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]phenyl]acetate?
ethyl 2-[4-[acetyl-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]phenyl]acetate has a molecular weight of 470.57 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[acetyl-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]phenyl]acetate is sourced from PubChem (CID 69425424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).