2-(2,2,4,4-tetramethylhexan-3-yl)quinolin-3-ol

C19H27NO — CID 139544305

IUPAC2-(2,2,4,4-tetramethylhexan-3-yl)quinolin-3-ol
SMILESCCC(C)(C)C(c1nc2ccccc2cc1O)C(C)(C)C
InChIInChI=1S/C19H27NO/c1-7-19(5,6)17(18(2,3)4)16-15(21)12-13-10-8-9-11-14(13)20-16/h8-12,17,21H,7H2,1-6H3
InChIKeyOXIZXPJDOIKVPI-UHFFFAOYSA-N
MW285.43 g/mol
LogP5.51
Rot. Bonds3

About 2-(2,2,4,4-tetramethylhexan-3-yl)quinolin-3-ol

2-(2,2,4,4-tetramethylhexan-3-yl)quinolin-3-ol (PubChem CID 139544305) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-(2,2,4,4-tetramethylhexan-3-yl)quinolin-3-ol.

Molecular Properties

Compound Name2-(2,2,4,4-tetramethylhexan-3-yl)quinolin-3-ol
PubChem CID139544305
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name2-(2,2,4,4-tetramethylhexan-3-yl)quinolin-3-ol
SMILESCCC(C)(C)C(c1nc2ccccc2cc1O)C(C)(C)C
InChIInChI=1S/C19H27NO/c1-7-19(5,6)17(18(2,3)4)16-15(21)12-13-10-8-9-11-14(13)20-16/h8-12,17,21H,7H2,1-6H3
InChIKeyOXIZXPJDOIKVPI-UHFFFAOYSA-N
XLogP5.51
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.43
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylquinolin-2-yl)pentan-3-ol
CID 63562501
2-propan-2-ylquinolin-3-ol;5-(2-propan-2-ylquinolin-3-yl)oxypyrimidine-2,4-diamine
CID 157053933
2-chloroquinolin-3-ol
CID 14616631
1-[2-(2-hydroxynaphthalen-1-yl)propan-2-yl]naphthalen-2-ol
CID 13354439
3-hydroxy-N-methylquinoline-2-carboxamide
CID 142526023
2,2-dimethyl-1-quinolin-3-ylpropan-1-ol
CID 60924299
3-propoxyphenazin-2-ol
CID 175825118
2,3-bis(3,3-dimethylbutan-2-yl)quinoxaline
CID 70641759
4-methylacridin-3-ol
CID 135711163
acridine;ethane
CID 123684759
1-(3-bromoquinolin-2-yl)-2-methylpentan-1-ol
CID 114013472
2-ethoxy-3,3-dimethyl-1-quinolin-3-ylbutan-1-ol
CID 116713427

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,4,4-tetramethylhexan-3-yl)quinolin-3-ol?
The IUPAC name of 2-(2,2,4,4-tetramethylhexan-3-yl)quinolin-3-ol (CID 139544305) is 2-(2,2,4,4-tetramethylhexan-3-yl)quinolin-3-ol.
What is the SMILES notation for 2-(2,2,4,4-tetramethylhexan-3-yl)quinolin-3-ol?
The canonical SMILES for 2-(2,2,4,4-tetramethylhexan-3-yl)quinolin-3-ol is CCC(C)(C)C(c1nc2ccccc2cc1O)C(C)(C)C.
What is the InChIKey of 2-(2,2,4,4-tetramethylhexan-3-yl)quinolin-3-ol?
The InChIKey is OXIZXPJDOIKVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-7-19(5,6)17(18(2,3)4)16-15(21)12-13-10-8-9-11-14(13)20-16/h8-12,17,21H,7H2,1-6H3.
What are the key properties of 2-(2,2,4,4-tetramethylhexan-3-yl)quinolin-3-ol?
2-(2,2,4,4-tetramethylhexan-3-yl)quinolin-3-ol has a molecular weight of 285.43 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,4,4-tetramethylhexan-3-yl)quinolin-3-ol is sourced from PubChem (CID 139544305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).