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

C13H18ClNO — CID 59004282

IUPAC(3R,4S)-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+/m0/s1
InChIKeyJINQFCDGPKEVBN-QPUJVOFHSA-N
MW239.75 g/mol
LogP3.32
Rot. Bonds

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

(3R,4S)-5-chloro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol (PubChem CID 59004282) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is (3R,4S)-5-chloro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol.

Molecular Properties

Compound Name(3R,4S)-5-chloro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
PubChem CID59004282
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name(3R,4S)-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+/m0/s1
InChIKeyJINQFCDGPKEVBN-QPUJVOFHSA-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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-5-chloro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol?
The IUPAC name of (3R,4S)-5-chloro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol (CID 59004282) is (3R,4S)-5-chloro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol.
What is the SMILES notation for (3R,4S)-5-chloro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol?
The canonical SMILES for (3R,4S)-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 (3R,4S)-5-chloro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol?
The InChIKey is JINQFCDGPKEVBN-QPUJVOFHSA-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+/m0/s1.
What are the key properties of (3R,4S)-5-chloro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol?
(3R,4S)-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 (3R,4S)-5-chloro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol is sourced from PubChem (CID 59004282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).