6-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)sulfanyl]-4,4-dimethyl-2,3-dihydro-1H-quinoline

C22H28N2S — CID 170570820

IUPAC6-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)sulfanyl]-4,4-dimethyl-2,3-dihydro-1H-quinoline
SMILESCC1(C)CCNc2ccc(Sc3ccc4c(c3)C(C)(C)CCN4)cc21
InChIInChI=1S/C22H28N2S/c1-21(2)9-11-23-19-7-5-15(13-17(19)21)25-16-6-8-20-18(14-16)22(3,4)10-12-24-20/h5-8,13-14,23-24H,9-12H2,1-4H3
InChIKeyUAWGWOAERVNTCJ-UHFFFAOYSA-N
MW352.55 g/mol
LogP6.02
Rot. Bonds2

About 6-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)sulfanyl]-4,4-dimethyl-2,3-dihydro-1H-quinoline

6-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)sulfanyl]-4,4-dimethyl-2,3-dihydro-1H-quinoline (PubChem CID 170570820) has the molecular formula C22H28N2S and a molecular weight of 352.55 g/mol. Its IUPAC name is 6-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)sulfanyl]-4,4-dimethyl-2,3-dihydro-1H-quinoline.

Molecular Properties

Compound Name6-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)sulfanyl]-4,4-dimethyl-2,3-dihydro-1H-quinoline
PubChem CID170570820
Molecular FormulaC22H28N2S
Molecular Weight352.55 g/mol
Exact Mass352.20
IUPAC Name6-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)sulfanyl]-4,4-dimethyl-2,3-dihydro-1H-quinoline
SMILESCC1(C)CCNc2ccc(Sc3ccc4c(c3)C(C)(C)CCN4)cc21
InChIInChI=1S/C22H28N2S/c1-21(2)9-11-23-19-7-5-15(13-17(19)21)25-16-6-8-20-18(14-16)22(3,4)10-12-24-20/h5-8,13-14,23-24H,9-12H2,1-4H3
InChIKeyUAWGWOAERVNTCJ-UHFFFAOYSA-N
XLogP6.02
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.55
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)sulfanyl]-4,4-dimethyl-2,3-dihydro-1H-quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline
CID 105486439
4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carbonitrile;hydrochloride
CID 86767500
7-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline
CID 10752520
[2-(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)cyclohexyl]methanol
CID 23302925
1-(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)-3-(4-nitrophenyl)urea
CID 146403591
4-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)methylideneamino]benzoic acid
CID 67762070
5-(4-methylsulfanylphenyl)sulfanyl-2,3-dihydro-1H-indole
CID 22498835
1-(6-ethyl-4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)ethanone
CID 68757527
2-(6-ethyl-4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)acetaldehyde
CID 87563255
1-(4,4-dimethyl-6-phenyl-2,3-dihydro-1H-quinolin-7-yl)ethanone
CID 68789609
spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-ol
CID 105436202
ethyl 8,8-dimethyl-6,7-dihydro-5H-thieno[2,3-g]quinoline-2-carboxylate
CID 131984095

Frequently Asked Questions

What is the IUPAC name of 6-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)sulfanyl]-4,4-dimethyl-2,3-dihydro-1H-quinoline?
The IUPAC name of 6-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)sulfanyl]-4,4-dimethyl-2,3-dihydro-1H-quinoline (CID 170570820) is 6-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)sulfanyl]-4,4-dimethyl-2,3-dihydro-1H-quinoline.
What is the SMILES notation for 6-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)sulfanyl]-4,4-dimethyl-2,3-dihydro-1H-quinoline?
The canonical SMILES for 6-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)sulfanyl]-4,4-dimethyl-2,3-dihydro-1H-quinoline is CC1(C)CCNc2ccc(Sc3ccc4c(c3)C(C)(C)CCN4)cc21.
What is the InChIKey of 6-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)sulfanyl]-4,4-dimethyl-2,3-dihydro-1H-quinoline?
The InChIKey is UAWGWOAERVNTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2S/c1-21(2)9-11-23-19-7-5-15(13-17(19)21)25-16-6-8-20-18(14-16)22(3,4)10-12-24-20/h5-8,13-14,23-24H,9-12H2,1-4H3.
What are the key properties of 6-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)sulfanyl]-4,4-dimethyl-2,3-dihydro-1H-quinoline?
6-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)sulfanyl]-4,4-dimethyl-2,3-dihydro-1H-quinoline has a molecular weight of 352.55 g/mol, XLogP of 6.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)sulfanyl]-4,4-dimethyl-2,3-dihydro-1H-quinoline is sourced from PubChem (CID 170570820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).