(1S)-1,2,2,4-tetramethyl-1H-benzo[f]isoquinoline

C17H19N — CID 1203686

IUPAC(1S)-1,2,2,4-tetramethyl-1H-benzo[f]isoquinoline
SMILESCC1=NC(C)(C)[C@@H](C)c2c1ccc1ccccc21
InChIInChI=1S/C17H19N/c1-11-16-14(12(2)18-17(11,3)4)10-9-13-7-5-6-8-15(13)16/h5-11H,1-4H3/t11-/m0/s1
InChIKeyIJKSFQSCURXWCO-NSHDSACASA-N
MW237.35 g/mol
LogP4.54
Rot. Bonds

About (1S)-1,2,2,4-tetramethyl-1H-benzo[f]isoquinoline

(1S)-1,2,2,4-tetramethyl-1H-benzo[f]isoquinoline (PubChem CID 1203686) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is (1S)-1,2,2,4-tetramethyl-1H-benzo[f]isoquinoline.

Molecular Properties

Compound Name(1S)-1,2,2,4-tetramethyl-1H-benzo[f]isoquinoline
PubChem CID1203686
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name(1S)-1,2,2,4-tetramethyl-1H-benzo[f]isoquinoline
SMILESCC1=NC(C)(C)[C@@H](C)c2c1ccc1ccccc21
InChIInChI=1S/C17H19N/c1-11-16-14(12(2)18-17(11,3)4)10-9-13-7-5-6-8-15(13)16/h5-11H,1-4H3/t11-/m0/s1
InChIKeyIJKSFQSCURXWCO-NSHDSACASA-N
XLogP4.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S)-1,2,2,4-tetramethyl-1H-benzo[f]isoquinoline 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

1,2,2,4-tetramethyl-1H-benzo[f]isoquinoline
CID 3130838
1,2,2-trimethyl-1,3-dihydrobenzo[e]indole
CID 66825779
12-naphthalen-1-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 633780
3-ethyl-1-methyl-1H-cyclopenta[a]naphthalene
CID 141344332
bis(3-chloro-2-methyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane
CID 141006639
1-methyl-2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalene
CID 23015278
1,2,3,3-tetramethyl-1,2-dihydrobenzo[e]indol-3-ium
CID 54472991
nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083
2-methyl-2H-phenanthren-1-one
CID 154182792
ethane;methane;phenanthrene
CID 144939263
ethane;methane;phenanthrene
CID 144938954
2-(1-ethylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole
CID 10848489

Frequently Asked Questions

What is the IUPAC name of (1S)-1,2,2,4-tetramethyl-1H-benzo[f]isoquinoline?
The IUPAC name of (1S)-1,2,2,4-tetramethyl-1H-benzo[f]isoquinoline (CID 1203686) is (1S)-1,2,2,4-tetramethyl-1H-benzo[f]isoquinoline.
What is the SMILES notation for (1S)-1,2,2,4-tetramethyl-1H-benzo[f]isoquinoline?
The canonical SMILES for (1S)-1,2,2,4-tetramethyl-1H-benzo[f]isoquinoline is CC1=NC(C)(C)[C@@H](C)c2c1ccc1ccccc21.
What is the InChIKey of (1S)-1,2,2,4-tetramethyl-1H-benzo[f]isoquinoline?
The InChIKey is IJKSFQSCURXWCO-NSHDSACASA-N. The full InChI is InChI=1S/C17H19N/c1-11-16-14(12(2)18-17(11,3)4)10-9-13-7-5-6-8-15(13)16/h5-11H,1-4H3/t11-/m0/s1.
What are the key properties of (1S)-1,2,2,4-tetramethyl-1H-benzo[f]isoquinoline?
(1S)-1,2,2,4-tetramethyl-1H-benzo[f]isoquinoline has a molecular weight of 237.35 g/mol, XLogP of 4.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1,2,2,4-tetramethyl-1H-benzo[f]isoquinoline is sourced from PubChem (CID 1203686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).