(1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl) butanoate

C22H25NO3 — CID 2882340

IUPAC(1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl) butanoate
SMILESCCCC(=O)OC1CC(C)N(C(=O)c2ccccc2)c2ccc(C)cc21
InChIInChI=1S/C22H25NO3/c1-4-8-21(24)26-20-14-16(3)23(19-12-11-15(2)13-18(19)20)22(25)17-9-6-5-7-10-17/h5-7,9-13,16,20H,4,8,14H2,1-3H3
InChIKeyQPBRJLNYRUYCSF-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.82
Rot. Bonds4

About (1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl) butanoate

(1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl) butanoate (PubChem CID 2882340) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is (1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl) butanoate.

Molecular Properties

Compound Name(1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl) butanoate
PubChem CID2882340
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name(1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl) butanoate
SMILESCCCC(=O)OC1CC(C)N(C(=O)c2ccccc2)c2ccc(C)cc21
InChIInChI=1S/C22H25NO3/c1-4-8-21(24)26-20-14-16(3)23(19-12-11-15(2)13-18(19)20)22(25)17-9-6-5-7-10-17/h5-7,9-13,16,20H,4,8,14H2,1-3H3
InChIKeyQPBRJLNYRUYCSF-UHFFFAOYSA-N
XLogP4.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

(2-Oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-4-yl) benzoate
CID 2786128
1-Isobutyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 182588
1-Butyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 19793437
2-Oxo-1-phenyl-1,2-dihydro-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44339954
2-Oxo-1-propyl-1,2-dihydro-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44340023
1-Isopropyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44340030
2-Oxo-1-pentyl-1,2-dihydro-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44340205
11-Ethoxy-5,11-dihydro-5-methyl-6H-dibenz(b,e)azepin-6-one
CID 65662
N-Benzylisatoic anhydride
CID 520756
N-ethylisatoic anhydride
CID 3249856
[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate
CID 4034846
Acetic acid 1-benzoyl-2,6-dimethyl-1,2,3,4-tetrahydro-quinolin-4-yl ester
CID 645583

Frequently Asked Questions

What is the IUPAC name of (1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl) butanoate?
The IUPAC name of (1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl) butanoate (CID 2882340) is (1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl) butanoate.
What is the SMILES notation for (1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl) butanoate?
The canonical SMILES for (1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl) butanoate is CCCC(=O)OC1CC(C)N(C(=O)c2ccccc2)c2ccc(C)cc21.
What is the InChIKey of (1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl) butanoate?
The InChIKey is QPBRJLNYRUYCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-4-8-21(24)26-20-14-16(3)23(19-12-11-15(2)13-18(19)20)22(25)17-9-6-5-7-10-17/h5-7,9-13,16,20H,4,8,14H2,1-3H3.
What are the key properties of (1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl) butanoate?
(1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl) butanoate has a molecular weight of 351.45 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl) butanoate is sourced from PubChem (CID 2882340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).