3-(methylamino)-4-quinolin-5-yloxybutan-1-ol

C14H18N2O2 — CID 103044503

IUPAC3-(methylamino)-4-quinolin-5-yloxybutan-1-ol
SMILESCNC(CCO)COc1cccc2ncccc12
InChIInChI=1S/C14H18N2O2/c1-15-11(7-9-17)10-18-14-6-2-5-13-12(14)4-3-8-16-13/h2-6,8,11,15,17H,7,9-10H2,1H3
InChIKeyJJBKUJRXNCEDGC-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.58
Rot. Bonds6

About 3-(methylamino)-4-quinolin-5-yloxybutan-1-ol

3-(methylamino)-4-quinolin-5-yloxybutan-1-ol (PubChem CID 103044503) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(methylamino)-4-quinolin-5-yloxybutan-1-ol.

Molecular Properties

Compound Name3-(methylamino)-4-quinolin-5-yloxybutan-1-ol
PubChem CID103044503
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-(methylamino)-4-quinolin-5-yloxybutan-1-ol
SMILESCNC(CCO)COc1cccc2ncccc12
InChIInChI=1S/C14H18N2O2/c1-15-11(7-9-17)10-18-14-6-2-5-13-12(14)4-3-8-16-13/h2-6,8,11,15,17H,7,9-10H2,1H3
InChIKeyJJBKUJRXNCEDGC-UHFFFAOYSA-N
XLogP1.58
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-1-quinolin-5-yloxypentan-2-amine
CID 103044496
N,3-dimethyl-1-quinolin-5-yloxypentan-2-amine
CID 103044444
N,2-dimethyl-3-quinolin-5-yloxypropan-1-amine
CID 103045300
5-(3-bromo-2-methylpropoxy)quinoline
CID 103044584
3-methyl-N-propyl-1-quinolin-5-yloxybutan-2-amine
CID 103044506
2-(methylamino)-3-quinolin-8-yloxypropan-1-ol
CID 64803231
3-amino-2-quinolin-5-yloxybutan-1-ol
CID 103044560
3-(ethylamino)-4-quinolin-8-yloxybutan-1-ol
CID 64899512
N-ethyl-3-methyl-1-quinolin-5-yloxypentan-2-amine
CID 103044542
N-(2-quinolin-5-yloxyethyl)pentan-3-amine
CID 103045833
1-cyclopentyl-2-quinolin-5-yloxyethanol
CID 103045508
3-methyl-N-(2-quinolin-5-yloxyethyl)butan-1-amine
CID 103045848

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-4-quinolin-5-yloxybutan-1-ol?
The IUPAC name of 3-(methylamino)-4-quinolin-5-yloxybutan-1-ol (CID 103044503) is 3-(methylamino)-4-quinolin-5-yloxybutan-1-ol.
What is the SMILES notation for 3-(methylamino)-4-quinolin-5-yloxybutan-1-ol?
The canonical SMILES for 3-(methylamino)-4-quinolin-5-yloxybutan-1-ol is CNC(CCO)COc1cccc2ncccc12.
What is the InChIKey of 3-(methylamino)-4-quinolin-5-yloxybutan-1-ol?
The InChIKey is JJBKUJRXNCEDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-15-11(7-9-17)10-18-14-6-2-5-13-12(14)4-3-8-16-13/h2-6,8,11,15,17H,7,9-10H2,1H3.
What are the key properties of 3-(methylamino)-4-quinolin-5-yloxybutan-1-ol?
3-(methylamino)-4-quinolin-5-yloxybutan-1-ol has a molecular weight of 246.31 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-4-quinolin-5-yloxybutan-1-ol is sourced from PubChem (CID 103044503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).