1-(3-Ethyl-2-methyl-quinolin-6-yl)-3-phenyl-propan-1-one

C21H21NO — CID 11483517

IUPAC1-(3-ethyl-2-methylquinolin-6-yl)-3-phenylpropan-1-one
SMILESCCC1=C(N=C2C=CC(=CC2=C1)C(=O)CCC3=CC=CC=C3)C
InChIInChI=1S/C21H21NO/c1-3-17-13-19-14-18(10-11-20(19)22-15(17)2)21(23)12-9-16-7-5-4-6-8-16/h4-8,10-11,13-14H,3,9,12H2,1-2H3
InChIKeyOJHPETTZSBWESU-UHFFFAOYSA-N
MW303.40 g/mol
LogP5.00
Rot. Bonds5

About 1-(3-Ethyl-2-methyl-quinolin-6-yl)-3-phenyl-propan-1-one

1-(3-Ethyl-2-methyl-quinolin-6-yl)-3-phenyl-propan-1-one (PubChem CID 11483517) has the molecular formula C21H21NO and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-(3-ethyl-2-methylquinolin-6-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(3-Ethyl-2-methyl-quinolin-6-yl)-3-phenyl-propan-1-one
PubChem CID11483517
Molecular FormulaC21H21NO
Molecular Weight303.40 g/mol
Exact Mass303.16
IUPAC Name1-(3-ethyl-2-methylquinolin-6-yl)-3-phenylpropan-1-one
SMILESCCC1=C(N=C2C=CC(=CC2=C1)C(=O)CCC3=CC=CC=C3)C
InChIInChI=1S/C21H21NO/c1-3-17-13-19-14-18(10-11-20(19)22-15(17)2)21(23)12-9-16-7-5-4-6-8-16/h4-8,10-11,13-14H,3,9,12H2,1-2H3
InChIKeyOJHPETTZSBWESU-UHFFFAOYSA-N
XLogP5.00
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity387

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-Ethyl-2-methyl-quinolin-6-yl)-3-phenyl-propan-1-one?
The IUPAC name of 1-(3-Ethyl-2-methyl-quinolin-6-yl)-3-phenyl-propan-1-one (CID 11483517) is 1-(3-ethyl-2-methylquinolin-6-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(3-Ethyl-2-methyl-quinolin-6-yl)-3-phenyl-propan-1-one?
The canonical SMILES for 1-(3-Ethyl-2-methyl-quinolin-6-yl)-3-phenyl-propan-1-one is CCC1=C(N=C2C=CC(=CC2=C1)C(=O)CCC3=CC=CC=C3)C.
What is the InChIKey of 1-(3-Ethyl-2-methyl-quinolin-6-yl)-3-phenyl-propan-1-one?
The InChIKey is OJHPETTZSBWESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-3-17-13-19-14-18(10-11-20(19)22-15(17)2)21(23)12-9-16-7-5-4-6-8-16/h4-8,10-11,13-14H,3,9,12H2,1-2H3.
What are the key properties of 1-(3-Ethyl-2-methyl-quinolin-6-yl)-3-phenyl-propan-1-one?
1-(3-Ethyl-2-methyl-quinolin-6-yl)-3-phenyl-propan-1-one has a molecular weight of 303.40 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-Ethyl-2-methyl-quinolin-6-yl)-3-phenyl-propan-1-one is sourced from PubChem (CID 11483517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).