[2-[cyclopentylmethyl(methyl)amino]quinolin-4-yl]methanol

C17H22N2O — CID 63631449

IUPAC[2-[cyclopentylmethyl(methyl)amino]quinolin-4-yl]methanol
SMILESCN(CC1CCCC1)c1cc(CO)c2ccccc2n1
InChIInChI=1S/C17H22N2O/c1-19(11-13-6-2-3-7-13)17-10-14(12-20)15-8-4-5-9-16(15)18-17/h4-5,8-10,13,20H,2-3,6-7,11-12H2,1H3
InChIKeyGBPRRASNUJBZPQ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.35
Rot. Bonds4

About [2-[cyclopentylmethyl(methyl)amino]quinolin-4-yl]methanol

[2-[cyclopentylmethyl(methyl)amino]quinolin-4-yl]methanol (PubChem CID 63631449) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is [2-[cyclopentylmethyl(methyl)amino]quinolin-4-yl]methanol.

Molecular Properties

Compound Name[2-[cyclopentylmethyl(methyl)amino]quinolin-4-yl]methanol
PubChem CID63631449
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name[2-[cyclopentylmethyl(methyl)amino]quinolin-4-yl]methanol
SMILESCN(CC1CCCC1)c1cc(CO)c2ccccc2n1
InChIInChI=1S/C17H22N2O/c1-19(11-13-6-2-3-7-13)17-10-14(12-20)15-8-4-5-9-16(15)18-17/h4-5,8-10,13,20H,2-3,6-7,11-12H2,1H3
InChIKeyGBPRRASNUJBZPQ-UHFFFAOYSA-N
XLogP3.35
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[cyclopentylmethyl(methyl)amino]quinolin-4-yl]methanol?
The IUPAC name of [2-[cyclopentylmethyl(methyl)amino]quinolin-4-yl]methanol (CID 63631449) is [2-[cyclopentylmethyl(methyl)amino]quinolin-4-yl]methanol.
What is the SMILES notation for [2-[cyclopentylmethyl(methyl)amino]quinolin-4-yl]methanol?
The canonical SMILES for [2-[cyclopentylmethyl(methyl)amino]quinolin-4-yl]methanol is CN(CC1CCCC1)c1cc(CO)c2ccccc2n1.
What is the InChIKey of [2-[cyclopentylmethyl(methyl)amino]quinolin-4-yl]methanol?
The InChIKey is GBPRRASNUJBZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-19(11-13-6-2-3-7-13)17-10-14(12-20)15-8-4-5-9-16(15)18-17/h4-5,8-10,13,20H,2-3,6-7,11-12H2,1H3.
What are the key properties of [2-[cyclopentylmethyl(methyl)amino]quinolin-4-yl]methanol?
[2-[cyclopentylmethyl(methyl)amino]quinolin-4-yl]methanol has a molecular weight of 270.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclopentylmethyl(methyl)amino]quinolin-4-yl]methanol is sourced from PubChem (CID 63631449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).