1-(7-tert-butylnaphthalen-2-yl)-2-quinolin-3-ylpropan-2-ol

C26H27NO — CID 91563898

IUPAC1-(7-tert-butylnaphthalen-2-yl)-2-quinolin-3-ylpropan-2-ol
SMILESCC(C)(C)c1ccc2ccc(CC(C)(O)c3cnc4ccccc4c3)cc2c1
InChIInChI=1S/C26H27NO/c1-25(2,3)22-12-11-19-10-9-18(13-21(19)15-22)16-26(4,28)23-14-20-7-5-6-8-24(20)27-17-23/h5-15,17,28H,16H2,1-4H3
InChIKeyQDOVWJZCXCSJDH-UHFFFAOYSA-N
MW369.51 g/mol
LogP6.14
Rot. Bonds3

About 1-(7-tert-butylnaphthalen-2-yl)-2-quinolin-3-ylpropan-2-ol

1-(7-tert-butylnaphthalen-2-yl)-2-quinolin-3-ylpropan-2-ol (PubChem CID 91563898) has the molecular formula C26H27NO and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-(7-tert-butylnaphthalen-2-yl)-2-quinolin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-(7-tert-butylnaphthalen-2-yl)-2-quinolin-3-ylpropan-2-ol
PubChem CID91563898
Molecular FormulaC26H27NO
Molecular Weight369.51 g/mol
Exact Mass369.21
IUPAC Name1-(7-tert-butylnaphthalen-2-yl)-2-quinolin-3-ylpropan-2-ol
SMILESCC(C)(C)c1ccc2ccc(CC(C)(O)c3cnc4ccccc4c3)cc2c1
InChIInChI=1S/C26H27NO/c1-25(2,3)22-12-11-19-10-9-18(13-21(19)15-22)16-26(4,28)23-14-20-7-5-6-8-24(20)27-17-23/h5-15,17,28H,16H2,1-4H3
InChIKeyQDOVWJZCXCSJDH-UHFFFAOYSA-N
XLogP6.14
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-tert-butyl-2-(2-methyl-2-quinolin-3-ylpropyl)quinoline
CID 131975391
1-(4-fluorophenyl)-2-quinolin-3-ylpropan-2-amine
CID 114833902
3-[1-(7-tert-butylnaphthalen-2-yl)propan-2-yl]isoquinoline
CID 146199056
1-cyclopropyl-1-quinolin-3-ylpropan-1-ol
CID 64918922
1-amino-2-naphthalen-2-ylpropan-2-ol
CID 62773964
3-(3,3-dimethylbutyl)quinoline
CID 58808300
3-[[4-(trifluoromethyl)phenyl]methyl]quinoline
CID 154466638
2-ethylnaphthalene;3-methylquinoline
CID 143066870
1-quinolin-3-yl-1-thiophen-2-ylethanol
CID 55163309
3-(2,2,2-trifluoroethyl)quinoline
CID 102230069
1-(2-methoxyphenyl)-1-quinolin-3-ylethanol
CID 60924956
3-methyl-N-propyl-3-quinolin-3-ylbutan-1-amine
CID 81023267

Frequently Asked Questions

What is the IUPAC name of 1-(7-tert-butylnaphthalen-2-yl)-2-quinolin-3-ylpropan-2-ol?
The IUPAC name of 1-(7-tert-butylnaphthalen-2-yl)-2-quinolin-3-ylpropan-2-ol (CID 91563898) is 1-(7-tert-butylnaphthalen-2-yl)-2-quinolin-3-ylpropan-2-ol.
What is the SMILES notation for 1-(7-tert-butylnaphthalen-2-yl)-2-quinolin-3-ylpropan-2-ol?
The canonical SMILES for 1-(7-tert-butylnaphthalen-2-yl)-2-quinolin-3-ylpropan-2-ol is CC(C)(C)c1ccc2ccc(CC(C)(O)c3cnc4ccccc4c3)cc2c1.
What is the InChIKey of 1-(7-tert-butylnaphthalen-2-yl)-2-quinolin-3-ylpropan-2-ol?
The InChIKey is QDOVWJZCXCSJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO/c1-25(2,3)22-12-11-19-10-9-18(13-21(19)15-22)16-26(4,28)23-14-20-7-5-6-8-24(20)27-17-23/h5-15,17,28H,16H2,1-4H3.
What are the key properties of 1-(7-tert-butylnaphthalen-2-yl)-2-quinolin-3-ylpropan-2-ol?
1-(7-tert-butylnaphthalen-2-yl)-2-quinolin-3-ylpropan-2-ol has a molecular weight of 369.51 g/mol, XLogP of 6.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-tert-butylnaphthalen-2-yl)-2-quinolin-3-ylpropan-2-ol is sourced from PubChem (CID 91563898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).