2,4,4,5-tetramethyl-2,3-dihydro-1H-quinoline

C13H19N — CID 117272177

IUPAC2,4,4,5-tetramethyl-2,3-dihydro-1H-quinoline
SMILESCc1cccc2c1C(C)(C)CC(C)N2
InChIInChI=1S/C13H19N/c1-9-6-5-7-11-12(9)13(3,4)8-10(2)14-11/h5-7,10,14H,8H2,1-4H3
InChIKeySGBHYSHZAOVPRT-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.48
Rot. Bonds

About 2,4,4,5-tetramethyl-2,3-dihydro-1H-quinoline

2,4,4,5-tetramethyl-2,3-dihydro-1H-quinoline (PubChem CID 117272177) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2,4,4,5-tetramethyl-2,3-dihydro-1H-quinoline.

Molecular Properties

Compound Name2,4,4,5-tetramethyl-2,3-dihydro-1H-quinoline
PubChem CID117272177
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2,4,4,5-tetramethyl-2,3-dihydro-1H-quinoline
SMILESCc1cccc2c1C(C)(C)CC(C)N2
InChIInChI=1S/C13H19N/c1-9-6-5-7-11-12(9)13(3,4)8-10(2)14-11/h5-7,10,14H,8H2,1-4H3
InChIKeySGBHYSHZAOVPRT-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2,5-dimethyl-1,2,3,4-tetrahydroquinoline
CID 124706639
2,5,6-trimethyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 84618965
(3S)-3,8-dimethyl-3,4-dihydro-1H-quinoxalin-2-one
CID 131142499
(2S,4S)-4-(2,2-dimethylpropyl)-2,4-dimethyl-2,3-dihydro-1H-quinoline
CID 139220190
2,4,4-trimethyl-8-(trifluoromethyl)-2,3-dihydro-1H-quinoline
CID 117272157
2,3,5-trimethyl-1,2,3,4-tetrahydroquinoxaline
CID 118011663
3,3,4-trimethyl-2-methylidene-1H-indole
CID 58760937
7-methyl-3-(4-methylcyclohexyl)-1H-indole
CID 106985057
2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol
CID 117198293
2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid
CID 117198318
(2S)-4-chloro-2-methyl-2,3-dihydro-1H-indole
CID 129375705
(2R)-2-methyl-4-methylidene-1,2,3,5-tetrahydro-1,5-benzodiazepine
CID 121278261

Frequently Asked Questions

What is the IUPAC name of 2,4,4,5-tetramethyl-2,3-dihydro-1H-quinoline?
The IUPAC name of 2,4,4,5-tetramethyl-2,3-dihydro-1H-quinoline (CID 117272177) is 2,4,4,5-tetramethyl-2,3-dihydro-1H-quinoline.
What is the SMILES notation for 2,4,4,5-tetramethyl-2,3-dihydro-1H-quinoline?
The canonical SMILES for 2,4,4,5-tetramethyl-2,3-dihydro-1H-quinoline is Cc1cccc2c1C(C)(C)CC(C)N2.
What is the InChIKey of 2,4,4,5-tetramethyl-2,3-dihydro-1H-quinoline?
The InChIKey is SGBHYSHZAOVPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-9-6-5-7-11-12(9)13(3,4)8-10(2)14-11/h5-7,10,14H,8H2,1-4H3.
What are the key properties of 2,4,4,5-tetramethyl-2,3-dihydro-1H-quinoline?
2,4,4,5-tetramethyl-2,3-dihydro-1H-quinoline has a molecular weight of 189.30 g/mol, XLogP of 3.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,5-tetramethyl-2,3-dihydro-1H-quinoline is sourced from PubChem (CID 117272177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).