1-[2-(dimethylamino)ethyl]-5,7-dimethyl-3-(4-methylphenyl)quinolin-4-one

C22H26N2O — CID 59110330

IUPAC1-[2-(dimethylamino)ethyl]-5,7-dimethyl-3-(4-methylphenyl)quinolin-4-one
SMILESCc1ccc(-c2cn(CCN(C)C)c3cc(C)cc(C)c3c2=O)cc1
InChIInChI=1S/C22H26N2O/c1-15-6-8-18(9-7-15)19-14-24(11-10-23(4)5)20-13-16(2)12-17(3)21(20)22(19)25/h6-9,12-14H,10-11H2,1-5H3
InChIKeyDFLOJABTVUABKC-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.16
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-5,7-dimethyl-3-(4-methylphenyl)quinolin-4-one

1-[2-(dimethylamino)ethyl]-5,7-dimethyl-3-(4-methylphenyl)quinolin-4-one (PubChem CID 59110330) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-5,7-dimethyl-3-(4-methylphenyl)quinolin-4-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-5,7-dimethyl-3-(4-methylphenyl)quinolin-4-one
PubChem CID59110330
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name1-[2-(dimethylamino)ethyl]-5,7-dimethyl-3-(4-methylphenyl)quinolin-4-one
SMILESCc1ccc(-c2cn(CCN(C)C)c3cc(C)cc(C)c3c2=O)cc1
InChIInChI=1S/C22H26N2O/c1-15-6-8-18(9-7-15)19-14-24(11-10-23(4)5)20-13-16(2)12-17(3)21(20)22(19)25/h6-9,12-14H,10-11H2,1-5H3
InChIKeyDFLOJABTVUABKC-UHFFFAOYSA-N
XLogP4.16
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one
CID 59110393
2-[5,8-dimethyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]-N,N-diethylacetamide
CID 59110422
1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one
CID 59110361
2-[7-methyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]acetonitrile
CID 59110332
3-(4-bromophenyl)-1,6-dimethylquinolin-4-one
CID 166443946
1-[2-(dimethylamino)ethyl]-7-fluoro-4-oxoquinoline-3-carboxylic acid
CID 82248737
2-(7-methyl-4-oxo-3-phenylquinolin-1-yl)-N-(4-methylphenyl)acetamide
CID 25016735
3-(4-chlorophenyl)-1,6-dimethylquinolin-4-one
CID 166443945
5-[5-[1-[2-(dimethylamino)ethyl]indol-3-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one
CID 167806317
[1-[2-(dimethylamino)ethyl]-5-methylbenzimidazol-2-yl]methanol
CID 82333285
3-[2-(dimethylamino)ethyl]-2-(2,4-dimethylphenyl)imidazolidin-4-one
CID 83251335
5-[2-(dimethylamino)ethyl]-2-pyridin-3-ylpyrazolo[1,5-a]pyrazin-4-one
CID 171146201

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-5,7-dimethyl-3-(4-methylphenyl)quinolin-4-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-5,7-dimethyl-3-(4-methylphenyl)quinolin-4-one (CID 59110330) is 1-[2-(dimethylamino)ethyl]-5,7-dimethyl-3-(4-methylphenyl)quinolin-4-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-5,7-dimethyl-3-(4-methylphenyl)quinolin-4-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-5,7-dimethyl-3-(4-methylphenyl)quinolin-4-one is Cc1ccc(-c2cn(CCN(C)C)c3cc(C)cc(C)c3c2=O)cc1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-5,7-dimethyl-3-(4-methylphenyl)quinolin-4-one?
The InChIKey is DFLOJABTVUABKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-15-6-8-18(9-7-15)19-14-24(11-10-23(4)5)20-13-16(2)12-17(3)21(20)22(19)25/h6-9,12-14H,10-11H2,1-5H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-5,7-dimethyl-3-(4-methylphenyl)quinolin-4-one?
1-[2-(dimethylamino)ethyl]-5,7-dimethyl-3-(4-methylphenyl)quinolin-4-one has a molecular weight of 334.46 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-5,7-dimethyl-3-(4-methylphenyl)quinolin-4-one is sourced from PubChem (CID 59110330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).