(3S,4R)-5-chloro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol

C13H18ClNO — CID 68883161

IUPAC(3S,4R)-5-chloro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
SMILESCc1ccc(Cl)c2c1NC(C)(C)[C@@H](O)[C@@H]2C
InChIInChI=1S/C13H18ClNO/c1-7-5-6-9(14)10-8(2)12(16)13(3,4)15-11(7)10/h5-6,8,12,15-16H,1-4H3/t8-,12+/m1/s1
InChIKeyJINQFCDGPKEVBN-PELKAZGASA-N
MW239.75 g/mol
LogP3.32
Rot. Bonds

About (3S,4R)-5-chloro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol

(3S,4R)-5-chloro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol (PubChem CID 68883161) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is (3S,4R)-5-chloro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol.

Molecular Properties

Compound Name(3S,4R)-5-chloro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
PubChem CID68883161
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name(3S,4R)-5-chloro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
SMILESCc1ccc(Cl)c2c1NC(C)(C)[C@@H](O)[C@@H]2C
InChIInChI=1S/C13H18ClNO/c1-7-5-6-9(14)10-8(2)12(16)13(3,4)15-11(7)10/h5-6,8,12,15-16H,1-4H3/t8-,12+/m1/s1
InChIKeyJINQFCDGPKEVBN-PELKAZGASA-N
XLogP3.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S,4R)-5-chloro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-5-chloro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol?
The IUPAC name of (3S,4R)-5-chloro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol (CID 68883161) is (3S,4R)-5-chloro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol.
What is the SMILES notation for (3S,4R)-5-chloro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol?
The canonical SMILES for (3S,4R)-5-chloro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol is Cc1ccc(Cl)c2c1NC(C)(C)[C@@H](O)[C@@H]2C.
What is the InChIKey of (3S,4R)-5-chloro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol?
The InChIKey is JINQFCDGPKEVBN-PELKAZGASA-N. The full InChI is InChI=1S/C13H18ClNO/c1-7-5-6-9(14)10-8(2)12(16)13(3,4)15-11(7)10/h5-6,8,12,15-16H,1-4H3/t8-,12+/m1/s1.
What are the key properties of (3S,4R)-5-chloro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol?
(3S,4R)-5-chloro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol has a molecular weight of 239.75 g/mol, XLogP of 3.32, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-5-chloro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol is sourced from PubChem (CID 68883161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).