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

C21H23NO3 — CID 3134422

IUPAC(1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl) propanoate
SMILESCCC(=O)OC1CC(C)N(C(=O)c2ccccc2)c2ccc(C)cc21
InChIInChI=1S/C21H23NO3/c1-4-20(23)25-19-13-15(3)22(18-11-10-14(2)12-17(18)19)21(24)16-8-6-5-7-9-16/h5-12,15,19H,4,13H2,1-3H3
InChIKeyNHMCUUWCWNYGQI-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.43
Rot. Bonds3

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

(1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl) propanoate (PubChem CID 3134422) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is (1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl) propanoate.

Molecular Properties

Compound Name(1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl) propanoate
PubChem CID3134422
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name(1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl) propanoate
SMILESCCC(=O)OC1CC(C)N(C(=O)c2ccccc2)c2ccc(C)cc21
InChIInChI=1S/C21H23NO3/c1-4-20(23)25-19-13-15(3)22(18-11-10-14(2)12-17(18)19)21(24)16-8-6-5-7-9-16/h5-12,15,19H,4,13H2,1-3H3
InChIKeyNHMCUUWCWNYGQI-UHFFFAOYSA-N
XLogP4.43
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl) propanoate?
The IUPAC name of (1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl) propanoate (CID 3134422) is (1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl) propanoate.
What is the SMILES notation for (1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl) propanoate?
The canonical SMILES for (1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl) propanoate is CCC(=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) propanoate?
The InChIKey is NHMCUUWCWNYGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-4-20(23)25-19-13-15(3)22(18-11-10-14(2)12-17(18)19)21(24)16-8-6-5-7-9-16/h5-12,15,19H,4,13H2,1-3H3.
What are the key properties of (1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl) propanoate?
(1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl) propanoate has a molecular weight of 337.42 g/mol, XLogP of 4.43, 3 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) propanoate is sourced from PubChem (CID 3134422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).