2-(8-methyl-2-propan-2-ylquinolin-4-yl)propan-2-ol

C16H21NO — CID 82447884

IUPAC2-(8-methyl-2-propan-2-ylquinolin-4-yl)propan-2-ol
SMILESCc1cccc2c(C(C)(C)O)cc(C(C)C)nc12
InChIInChI=1S/C16H21NO/c1-10(2)14-9-13(16(4,5)18)12-8-6-7-11(3)15(12)17-14/h6-10,18H,1-5H3
InChIKeyBSVHYYZSRLKNFS-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.89
Rot. Bonds2

About 2-(8-methyl-2-propan-2-ylquinolin-4-yl)propan-2-ol

2-(8-methyl-2-propan-2-ylquinolin-4-yl)propan-2-ol (PubChem CID 82447884) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(8-methyl-2-propan-2-ylquinolin-4-yl)propan-2-ol.

Molecular Properties

Compound Name2-(8-methyl-2-propan-2-ylquinolin-4-yl)propan-2-ol
PubChem CID82447884
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2-(8-methyl-2-propan-2-ylquinolin-4-yl)propan-2-ol
SMILESCc1cccc2c(C(C)(C)O)cc(C(C)C)nc12
InChIInChI=1S/C16H21NO/c1-10(2)14-9-13(16(4,5)18)12-8-6-7-11(3)15(12)17-14/h6-10,18H,1-5H3
InChIKeyBSVHYYZSRLKNFS-UHFFFAOYSA-N
XLogP3.89
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7,8-dichloro-2-propan-2-ylquinolin-4-yl)propan-2-ol
CID 82449344
8-methyl-2-propan-2-ylquinolin-4-amine
CID 62198205
4-chloro-8-methyl-2-propan-2-ylquinoline
CID 43668842
1-(8-methyl-2-propan-2-ylquinolin-4-yl)ethanone
CID 82447892
(8-methyl-2-propan-2-ylquinolin-4-yl)methanamine
CID 82447883
N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]ethanamine
CID 82447866
N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine
CID 82447872
2-(7,8-dimethyl-2-propan-2-ylquinolin-4-yl)propan-2-amine
CID 82448463
2-(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)propan-2-ol
CID 82448658
2-tert-butyl-4,8-dimethylquinoline
CID 59432974
1-[2,8-di(propan-2-yl)quinolin-4-yl]ethanone
CID 82448088
4-(bromomethyl)-2,8-di(propan-2-yl)quinoline
CID 82448081

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-2-propan-2-ylquinolin-4-yl)propan-2-ol?
The IUPAC name of 2-(8-methyl-2-propan-2-ylquinolin-4-yl)propan-2-ol (CID 82447884) is 2-(8-methyl-2-propan-2-ylquinolin-4-yl)propan-2-ol.
What is the SMILES notation for 2-(8-methyl-2-propan-2-ylquinolin-4-yl)propan-2-ol?
The canonical SMILES for 2-(8-methyl-2-propan-2-ylquinolin-4-yl)propan-2-ol is Cc1cccc2c(C(C)(C)O)cc(C(C)C)nc12.
What is the InChIKey of 2-(8-methyl-2-propan-2-ylquinolin-4-yl)propan-2-ol?
The InChIKey is BSVHYYZSRLKNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-10(2)14-9-13(16(4,5)18)12-8-6-7-11(3)15(12)17-14/h6-10,18H,1-5H3.
What are the key properties of 2-(8-methyl-2-propan-2-ylquinolin-4-yl)propan-2-ol?
2-(8-methyl-2-propan-2-ylquinolin-4-yl)propan-2-ol has a molecular weight of 243.35 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-2-propan-2-ylquinolin-4-yl)propan-2-ol is sourced from PubChem (CID 82447884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).