3,4-dihydro-2H-quinolin-1-yl-(2,2,4-trimethyl-1H-quinolin-8-yl)methanone

C22H24N2O — CID 17036233

IUPAC3,4-dihydro-2H-quinolin-1-yl-(2,2,4-trimethyl-1H-quinolin-8-yl)methanone
SMILESCC1=CC(C)(C)Nc2c(C(=O)N3CCCc4ccccc43)cccc21
InChIInChI=1S/C22H24N2O/c1-15-14-22(2,3)23-20-17(15)10-6-11-18(20)21(25)24-13-7-9-16-8-4-5-12-19(16)24/h4-6,8,10-12,14,23H,7,9,13H2,1-3H3
InChIKeyQSOWMOKPSBLZPM-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.89
Rot. Bonds1

About 3,4-dihydro-2H-quinolin-1-yl-(2,2,4-trimethyl-1H-quinolin-8-yl)methanone

3,4-dihydro-2H-quinolin-1-yl-(2,2,4-trimethyl-1H-quinolin-8-yl)methanone (PubChem CID 17036233) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(2,2,4-trimethyl-1H-quinolin-8-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(2,2,4-trimethyl-1H-quinolin-8-yl)methanone
PubChem CID17036233
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(2,2,4-trimethyl-1H-quinolin-8-yl)methanone
SMILESCC1=CC(C)(C)Nc2c(C(=O)N3CCCc4ccccc43)cccc21
InChIInChI=1S/C22H24N2O/c1-15-14-22(2,3)23-20-17(15)10-6-11-18(20)21(25)24-13-7-9-16-8-4-5-12-19(16)24/h4-6,8,10-12,14,23H,7,9,13H2,1-3H3
InChIKeyQSOWMOKPSBLZPM-UHFFFAOYSA-N
XLogP4.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(2,2,4,6-tetramethyl-1H-quinolin-8-yl)methanone
CID 66492616
3,4-dihydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone
CID 82829947
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone
CID 47097545
3,4-dihydro-2H-quinolin-1-yl-(2-methoxyphenyl)methanone
CID 903128
3,4-dihydro-2H-quinolin-1-yl(1H-indol-4-yl)methanone
CID 43582707
3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone
CID 5061013
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
(5-bromo-2-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 65307202
3,4-dihydro-2H-quinolin-1-yl-(2-propan-2-yloxyphenyl)methanone
CID 86893884
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-1H-pyrimidin-6-one
CID 110857161
8-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 110701892

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(2,2,4-trimethyl-1H-quinolin-8-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(2,2,4-trimethyl-1H-quinolin-8-yl)methanone (CID 17036233) is 3,4-dihydro-2H-quinolin-1-yl-(2,2,4-trimethyl-1H-quinolin-8-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(2,2,4-trimethyl-1H-quinolin-8-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(2,2,4-trimethyl-1H-quinolin-8-yl)methanone is CC1=CC(C)(C)Nc2c(C(=O)N3CCCc4ccccc43)cccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(2,2,4-trimethyl-1H-quinolin-8-yl)methanone?
The InChIKey is QSOWMOKPSBLZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-15-14-22(2,3)23-20-17(15)10-6-11-18(20)21(25)24-13-7-9-16-8-4-5-12-19(16)24/h4-6,8,10-12,14,23H,7,9,13H2,1-3H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(2,2,4-trimethyl-1H-quinolin-8-yl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(2,2,4-trimethyl-1H-quinolin-8-yl)methanone has a molecular weight of 332.45 g/mol, XLogP of 4.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-(2,2,4-trimethyl-1H-quinolin-8-yl)methanone is sourced from PubChem (CID 17036233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).