[4-[propan-2-yl(propyl)amino]quinolin-2-yl]methanol

C16H22N2O — CID 63376398

IUPAC[4-[propan-2-yl(propyl)amino]quinolin-2-yl]methanol
SMILESCCCN(c1cc(CO)nc2ccccc12)C(C)C
InChIInChI=1S/C16H22N2O/c1-4-9-18(12(2)3)16-10-13(11-19)17-15-8-6-5-7-14(15)16/h5-8,10,12,19H,4,9,11H2,1-3H3
InChIKeyIUJBYKKSBBKQBN-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.35
Rot. Bonds5

About [4-[propan-2-yl(propyl)amino]quinolin-2-yl]methanol

[4-[propan-2-yl(propyl)amino]quinolin-2-yl]methanol (PubChem CID 63376398) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is [4-[propan-2-yl(propyl)amino]quinolin-2-yl]methanol.

Molecular Properties

Compound Name[4-[propan-2-yl(propyl)amino]quinolin-2-yl]methanol
PubChem CID63376398
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name[4-[propan-2-yl(propyl)amino]quinolin-2-yl]methanol
SMILESCCCN(c1cc(CO)nc2ccccc12)C(C)C
InChIInChI=1S/C16H22N2O/c1-4-9-18(12(2)3)16-10-13(11-19)17-15-8-6-5-7-14(15)16/h5-8,10,12,19H,4,9,11H2,1-3H3
InChIKeyIUJBYKKSBBKQBN-UHFFFAOYSA-N
XLogP3.35
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[propan-2-yl(propyl)amino]quinolin-2-yl]methanol?
The IUPAC name of [4-[propan-2-yl(propyl)amino]quinolin-2-yl]methanol (CID 63376398) is [4-[propan-2-yl(propyl)amino]quinolin-2-yl]methanol.
What is the SMILES notation for [4-[propan-2-yl(propyl)amino]quinolin-2-yl]methanol?
The canonical SMILES for [4-[propan-2-yl(propyl)amino]quinolin-2-yl]methanol is CCCN(c1cc(CO)nc2ccccc12)C(C)C.
What is the InChIKey of [4-[propan-2-yl(propyl)amino]quinolin-2-yl]methanol?
The InChIKey is IUJBYKKSBBKQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-9-18(12(2)3)16-10-13(11-19)17-15-8-6-5-7-14(15)16/h5-8,10,12,19H,4,9,11H2,1-3H3.
What are the key properties of [4-[propan-2-yl(propyl)amino]quinolin-2-yl]methanol?
[4-[propan-2-yl(propyl)amino]quinolin-2-yl]methanol has a molecular weight of 258.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[propan-2-yl(propyl)amino]quinolin-2-yl]methanol is sourced from PubChem (CID 63376398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).