benzyl 3-acetyl-3,4-dihydro-2H-quinoline-1-carboxylate

C19H19NO3 — CID 54108508

IUPACbenzyl 3-acetyl-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC(=O)C1Cc2ccccc2N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H19NO3/c1-14(21)17-11-16-9-5-6-10-18(16)20(12-17)19(22)23-13-15-7-3-2-4-8-15/h2-10,17H,11-13H2,1H3
InChIKeyNFKUBQKDHGXJRG-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.59
Rot. Bonds3

About benzyl 3-acetyl-3,4-dihydro-2H-quinoline-1-carboxylate

benzyl 3-acetyl-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 54108508) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is benzyl 3-acetyl-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-acetyl-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID54108508
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Namebenzyl 3-acetyl-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC(=O)C1Cc2ccccc2N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H19NO3/c1-14(21)17-11-16-9-5-6-10-18(16)20(12-17)19(22)23-13-15-7-3-2-4-8-15/h2-10,17H,11-13H2,1H3
InChIKeyNFKUBQKDHGXJRG-UHFFFAOYSA-N
XLogP3.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (3S)-3-(methoxymethylcarbamoyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 70086052
benzyl (3S)-3-acetyloxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 70085551
3-(1-phenylmethoxycarbonyl-3,4-dihydro-2H-quinolin-3-yl)prop-2-enoic acid
CID 77325549
benzyl 3-[(E)-pent-1-enyl]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 67625561
1-[(3R)-1-benzyl-3,4-dihydro-2H-quinolin-3-yl]ethanone
CID 22882347
benzyl 3-[(2-amino-4-methylphenoxy)methyl]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 67254134
benzyl (3R)-3-carboxyoxy-3,4-dihydro-2H-quinoline-1-carboxylate;morpholine-4-carboxamide
CID 67754957
benzyl (3S)-3-acetylpiperidine-1-carboxylate
CID 86330253
4-phenylmethoxycarbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 60726434
benzyl 2-[amino(hydroxy)methyl]-2,3-dihydroindole-1-carboxylate
CID 19795229
benzyl (2R)-2-(methoxymethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 22882600
3-[[1-[3-(1-phenylmethoxycarbonylpiperidin-4-yl)propanoyl]-3,4-dihydro-2H-quinoline-3-carbonyl]amino]propanoic acid
CID 22612016

Frequently Asked Questions

What is the IUPAC name of benzyl 3-acetyl-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of benzyl 3-acetyl-3,4-dihydro-2H-quinoline-1-carboxylate (CID 54108508) is benzyl 3-acetyl-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for benzyl 3-acetyl-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for benzyl 3-acetyl-3,4-dihydro-2H-quinoline-1-carboxylate is CC(=O)C1Cc2ccccc2N(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-acetyl-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is NFKUBQKDHGXJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-14(21)17-11-16-9-5-6-10-18(16)20(12-17)19(22)23-13-15-7-3-2-4-8-15/h2-10,17H,11-13H2,1H3.
What are the key properties of benzyl 3-acetyl-3,4-dihydro-2H-quinoline-1-carboxylate?
benzyl 3-acetyl-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-acetyl-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 54108508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).