[4-[3,3-dimethylbutan-2-yl(methyl)amino]quinolin-2-yl]methanol

C17H24N2O — CID 63376235

IUPAC[4-[3,3-dimethylbutan-2-yl(methyl)amino]quinolin-2-yl]methanol
SMILESCC(N(C)c1cc(CO)nc2ccccc12)C(C)(C)C
InChIInChI=1S/C17H24N2O/c1-12(17(2,3)4)19(5)16-10-13(11-20)18-15-9-7-6-8-14(15)16/h6-10,12,20H,11H2,1-5H3
InChIKeyQQANOGOPDMQAOI-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.60
Rot. Bonds3

About [4-[3,3-dimethylbutan-2-yl(methyl)amino]quinolin-2-yl]methanol

[4-[3,3-dimethylbutan-2-yl(methyl)amino]quinolin-2-yl]methanol (PubChem CID 63376235) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is [4-[3,3-dimethylbutan-2-yl(methyl)amino]quinolin-2-yl]methanol.

Molecular Properties

Compound Name[4-[3,3-dimethylbutan-2-yl(methyl)amino]quinolin-2-yl]methanol
PubChem CID63376235
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name[4-[3,3-dimethylbutan-2-yl(methyl)amino]quinolin-2-yl]methanol
SMILESCC(N(C)c1cc(CO)nc2ccccc12)C(C)(C)C
InChIInChI=1S/C17H24N2O/c1-12(17(2,3)4)19(5)16-10-13(11-20)18-15-9-7-6-8-14(15)16/h6-10,12,20H,11H2,1-5H3
InChIKeyQQANOGOPDMQAOI-UHFFFAOYSA-N
XLogP3.60
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[3,3-dimethylbutan-2-yl(methyl)amino]quinolin-2-yl]methanol?
The IUPAC name of [4-[3,3-dimethylbutan-2-yl(methyl)amino]quinolin-2-yl]methanol (CID 63376235) is [4-[3,3-dimethylbutan-2-yl(methyl)amino]quinolin-2-yl]methanol.
What is the SMILES notation for [4-[3,3-dimethylbutan-2-yl(methyl)amino]quinolin-2-yl]methanol?
The canonical SMILES for [4-[3,3-dimethylbutan-2-yl(methyl)amino]quinolin-2-yl]methanol is CC(N(C)c1cc(CO)nc2ccccc12)C(C)(C)C.
What is the InChIKey of [4-[3,3-dimethylbutan-2-yl(methyl)amino]quinolin-2-yl]methanol?
The InChIKey is QQANOGOPDMQAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12(17(2,3)4)19(5)16-10-13(11-20)18-15-9-7-6-8-14(15)16/h6-10,12,20H,11H2,1-5H3.
What are the key properties of [4-[3,3-dimethylbutan-2-yl(methyl)amino]quinolin-2-yl]methanol?
[4-[3,3-dimethylbutan-2-yl(methyl)amino]quinolin-2-yl]methanol has a molecular weight of 272.39 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3,3-dimethylbutan-2-yl(methyl)amino]quinolin-2-yl]methanol is sourced from PubChem (CID 63376235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).