8-chloro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline

C19H26ClN — CID 126544065

IUPAC8-chloro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline
SMILESCC(C)(C)C(C)(c1ccc2cccc(Cl)c2n1)C(C)(C)C
InChIInChI=1S/C19H26ClN/c1-17(2,3)19(7,18(4,5)6)15-12-11-13-9-8-10-14(20)16(13)21-15/h8-12H,1-7H3
InChIKeyNJJHWMFRKZWWHA-UHFFFAOYSA-N
MW303.88 g/mol
LogP6.24
Rot. Bonds1

About 8-chloro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline

8-chloro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline (PubChem CID 126544065) has the molecular formula C19H26ClN and a molecular weight of 303.88 g/mol. Its IUPAC name is 8-chloro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline.

Molecular Properties

Compound Name8-chloro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline
PubChem CID126544065
Molecular FormulaC19H26ClN
Molecular Weight303.88 g/mol
Exact Mass303.18
IUPAC Name8-chloro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline
SMILESCC(C)(C)C(C)(c1ccc2cccc(Cl)c2n1)C(C)(C)C
InChIInChI=1S/C19H26ClN/c1-17(2,3)19(7,18(4,5)6)15-12-11-13-9-8-10-14(20)16(13)21-15/h8-12H,1-7H3
InChIKeyNJJHWMFRKZWWHA-UHFFFAOYSA-N
XLogP6.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.88
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3S)-2-iodo-2,3,4,4-tetramethylpentan-3-yl]-8-methylquinoline
CID 126544224
8-chloro-N,N-dimethylquinolin-2-amine
CID 21073940
8-chloroquinoline;ethane
CID 142246255
8-chloro-2-(dibromomethyl)quinoline
CID 4064523
2-tert-butylquinolin-8-amine
CID 119094982
1-(8-chloroquinolin-2-yl)propan-2-one
CID 82242117
2-(3-amino-8-chloroquinolin-2-yl)propan-2-ol
CID 126623878
2-[2-(1,10-phenanthrolin-2-yl)propan-2-yl]-1,10-phenanthroline
CID 139174668
2-tert-butyl-8-chloro-N-methylquinolin-4-amine
CID 63480466
8-chloro-2-[(E)-2-phenylethenyl]quinoline
CID 53474916
(2S)-1-N-(8-chloroquinolin-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 125445719
1,2-dichlorobenzene;naphthalene
CID 162050769

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline?
The IUPAC name of 8-chloro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline (CID 126544065) is 8-chloro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline.
What is the SMILES notation for 8-chloro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline?
The canonical SMILES for 8-chloro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline is CC(C)(C)C(C)(c1ccc2cccc(Cl)c2n1)C(C)(C)C.
What is the InChIKey of 8-chloro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline?
The InChIKey is NJJHWMFRKZWWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN/c1-17(2,3)19(7,18(4,5)6)15-12-11-13-9-8-10-14(20)16(13)21-15/h8-12H,1-7H3.
What are the key properties of 8-chloro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline?
8-chloro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline has a molecular weight of 303.88 g/mol, XLogP of 6.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline is sourced from PubChem (CID 126544065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).