2-[(3S)-2-iodo-2,3,4,4-tetramethylpentan-3-yl]-8-methylquinoline

C19H26IN — CID 126544224

IUPAC2-[(3S)-2-iodo-2,3,4,4-tetramethylpentan-3-yl]-8-methylquinoline
SMILESCc1cccc2ccc([C@](C)(C(C)(C)C)C(C)(C)I)nc12
InChIInChI=1S/C19H26IN/c1-13-9-8-10-14-11-12-15(21-16(13)14)19(7,17(2,3)4)18(5,6)20/h8-12H,1-7H3/t19-/m1/s1
InChIKeyYRZHXFNFUFCBAT-LJQANCHMSA-N
MW395.33 g/mol
LogP6.06
Rot. Bonds2

About 2-[(3S)-2-iodo-2,3,4,4-tetramethylpentan-3-yl]-8-methylquinoline

2-[(3S)-2-iodo-2,3,4,4-tetramethylpentan-3-yl]-8-methylquinoline (PubChem CID 126544224) has the molecular formula C19H26IN and a molecular weight of 395.33 g/mol. Its IUPAC name is 2-[(3S)-2-iodo-2,3,4,4-tetramethylpentan-3-yl]-8-methylquinoline.

Molecular Properties

Compound Name2-[(3S)-2-iodo-2,3,4,4-tetramethylpentan-3-yl]-8-methylquinoline
PubChem CID126544224
Molecular FormulaC19H26IN
Molecular Weight395.33 g/mol
Exact Mass395.11
IUPAC Name2-[(3S)-2-iodo-2,3,4,4-tetramethylpentan-3-yl]-8-methylquinoline
SMILESCc1cccc2ccc([C@](C)(C(C)(C)C)C(C)(C)I)nc12
InChIInChI=1S/C19H26IN/c1-13-9-8-10-14-11-12-15(21-16(13)14)19(7,17(2,3)4)18(5,6)20/h8-12H,1-7H3/t19-/m1/s1
InChIKeyYRZHXFNFUFCBAT-LJQANCHMSA-N
XLogP6.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.33
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

8-chloro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline
CID 126544065
2-(4-iodophenyl)-8-methylquinoline
CID 125497022
2-tert-butylquinolin-8-amine
CID 119094982
8-methyl-2-pyridin-3-ylquinoline
CID 125496977
trimethyl-[(8-methylquinolin-2-yl)-trimethylsilylmethyl]silane
CID 58835845
2-tert-butyl-4,8-dimethylquinoline
CID 59432974
2-(8-methylquinolin-2-yl)acetamide
CID 110487629
2-chloro-8-methylquinazoline
CID 53416811
2-(3,5-dimethylpyrazol-1-yl)-8-methylquinoline
CID 122647894
2-chloro-3-ethyl-8-methylquinoline
CID 18523984
4,5-dichloro-8-methyl-2-(trichloromethyl)quinoline
CID 23313791
2-[2-(1,10-phenanthrolin-2-yl)propan-2-yl]-1,10-phenanthroline
CID 139174668

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-2-iodo-2,3,4,4-tetramethylpentan-3-yl]-8-methylquinoline?
The IUPAC name of 2-[(3S)-2-iodo-2,3,4,4-tetramethylpentan-3-yl]-8-methylquinoline (CID 126544224) is 2-[(3S)-2-iodo-2,3,4,4-tetramethylpentan-3-yl]-8-methylquinoline.
What is the SMILES notation for 2-[(3S)-2-iodo-2,3,4,4-tetramethylpentan-3-yl]-8-methylquinoline?
The canonical SMILES for 2-[(3S)-2-iodo-2,3,4,4-tetramethylpentan-3-yl]-8-methylquinoline is Cc1cccc2ccc([C@](C)(C(C)(C)C)C(C)(C)I)nc12.
What is the InChIKey of 2-[(3S)-2-iodo-2,3,4,4-tetramethylpentan-3-yl]-8-methylquinoline?
The InChIKey is YRZHXFNFUFCBAT-LJQANCHMSA-N. The full InChI is InChI=1S/C19H26IN/c1-13-9-8-10-14-11-12-15(21-16(13)14)19(7,17(2,3)4)18(5,6)20/h8-12H,1-7H3/t19-/m1/s1.
What are the key properties of 2-[(3S)-2-iodo-2,3,4,4-tetramethylpentan-3-yl]-8-methylquinoline?
2-[(3S)-2-iodo-2,3,4,4-tetramethylpentan-3-yl]-8-methylquinoline has a molecular weight of 395.33 g/mol, XLogP of 6.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-2-iodo-2,3,4,4-tetramethylpentan-3-yl]-8-methylquinoline is sourced from PubChem (CID 126544224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).