propan-2-yloxy-(quinolin-5-ylmethylamino)methanol

C14H18N2O2 — CID 167171231

IUPACpropan-2-yloxy-(quinolin-5-ylmethylamino)methanol
SMILESCC(C)OC(O)NCc1cccc2ncccc12
InChIInChI=1S/C14H18N2O2/c1-10(2)18-14(17)16-9-11-5-3-7-13-12(11)6-4-8-15-13/h3-8,10,14,16-17H,9H2,1-2H3
InChIKeyWNJWXHRRMWLEMG-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.03
Rot. Bonds5

About propan-2-yloxy-(quinolin-5-ylmethylamino)methanol

propan-2-yloxy-(quinolin-5-ylmethylamino)methanol (PubChem CID 167171231) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is propan-2-yloxy-(quinolin-5-ylmethylamino)methanol.

Molecular Properties

Compound Namepropan-2-yloxy-(quinolin-5-ylmethylamino)methanol
PubChem CID167171231
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Namepropan-2-yloxy-(quinolin-5-ylmethylamino)methanol
SMILESCC(C)OC(O)NCc1cccc2ncccc12
InChIInChI=1S/C14H18N2O2/c1-10(2)18-14(17)16-9-11-5-3-7-13-12(11)6-4-8-15-13/h3-8,10,14,16-17H,9H2,1-2H3
InChIKeyWNJWXHRRMWLEMG-UHFFFAOYSA-N
XLogP2.03
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(quinolin-5-ylmethyl)butan-2-amine
CID 62340535
propan-2-yl N-(quinolin-5-ylmethyl)carbamate
CID 135387719
ethane;N-methyl-1-quinolin-5-ylmethanamine
CID 163296401
(2R)-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine
CID 104868148
5,5-dimethyl-2-(quinolin-5-ylmethylamino)hexanoic acid
CID 175558824
(2S)-3-methyl-2-(quinolin-4-ylmethylamino)butan-1-ol
CID 79253789
2-methoxy-N-(quinolin-5-ylmethyl)ethanamine
CID 62543986
3-ethyl-N-(quinolin-4-ylmethyl)pentan-2-amine
CID 63852270
methyl 2-(quinolin-4-ylmethylamino)propanoate
CID 55251614
(1R)-1-quinolin-5-ylethanol
CID 86326294
propan-2-yl N-methyl-N-(quinolin-5-ylmethyl)carbamate
CID 135388422
ethane;5-ethylquinoline
CID 143401043

Frequently Asked Questions

What is the IUPAC name of propan-2-yloxy-(quinolin-5-ylmethylamino)methanol?
The IUPAC name of propan-2-yloxy-(quinolin-5-ylmethylamino)methanol (CID 167171231) is propan-2-yloxy-(quinolin-5-ylmethylamino)methanol.
What is the SMILES notation for propan-2-yloxy-(quinolin-5-ylmethylamino)methanol?
The canonical SMILES for propan-2-yloxy-(quinolin-5-ylmethylamino)methanol is CC(C)OC(O)NCc1cccc2ncccc12.
What is the InChIKey of propan-2-yloxy-(quinolin-5-ylmethylamino)methanol?
The InChIKey is WNJWXHRRMWLEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(2)18-14(17)16-9-11-5-3-7-13-12(11)6-4-8-15-13/h3-8,10,14,16-17H,9H2,1-2H3.
What are the key properties of propan-2-yloxy-(quinolin-5-ylmethylamino)methanol?
propan-2-yloxy-(quinolin-5-ylmethylamino)methanol has a molecular weight of 246.31 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yloxy-(quinolin-5-ylmethylamino)methanol is sourced from PubChem (CID 167171231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).