4-(2-methylquinolin-8-yl)oxy-3-(propylamino)butan-1-ol

C17H24N2O2 — CID 64900145

IUPAC4-(2-methylquinolin-8-yl)oxy-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)COc1cccc2ccc(C)nc12
InChIInChI=1S/C17H24N2O2/c1-3-10-18-15(9-11-20)12-21-16-6-4-5-14-8-7-13(2)19-17(14)16/h4-8,15,18,20H,3,9-12H2,1-2H3
InChIKeyMGKWBLOWKZNGKT-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.67
Rot. Bonds8

About 4-(2-methylquinolin-8-yl)oxy-3-(propylamino)butan-1-ol

4-(2-methylquinolin-8-yl)oxy-3-(propylamino)butan-1-ol (PubChem CID 64900145) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-(2-methylquinolin-8-yl)oxy-3-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(2-methylquinolin-8-yl)oxy-3-(propylamino)butan-1-ol
PubChem CID64900145
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name4-(2-methylquinolin-8-yl)oxy-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)COc1cccc2ccc(C)nc12
InChIInChI=1S/C17H24N2O2/c1-3-10-18-15(9-11-20)12-21-16-6-4-5-14-8-7-13(2)19-17(14)16/h4-8,15,18,20H,3,9-12H2,1-2H3
InChIKeyMGKWBLOWKZNGKT-UHFFFAOYSA-N
XLogP2.67
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylamino)-4-quinolin-8-yloxybutan-1-ol
CID 64899512
4-(2-methoxyphenoxy)-3-(propylamino)butan-1-ol
CID 64899284
(2R)-1-(2-methylquinolin-8-yl)oxypropan-2-ol
CID 70983446
4-(2,5-difluorophenoxy)-3-(propylamino)butan-1-ol
CID 64898653
8-[2-(bromomethyl)-3-methylbutoxy]-2-methylquinoline
CID 65012115
4-(2-fluoro-5-methylphenoxy)-3-(propylamino)butan-1-ol
CID 64898881
4-(2-methylquinolin-8-yl)oxybutan-2-amine
CID 43169778
4-(4-propoxyphenoxy)-3-(propylamino)butan-1-ol
CID 64899515
1-(2-methylquinolin-8-yl)oxybutan-2-one
CID 62040414
1-(2-fluoro-3-methylphenoxy)-N-propylpentan-2-amine
CID 107656960
2-(ethylamino)-3-quinolin-8-yloxypropan-1-ol
CID 64805310
6-(2-methylquinolin-8-yl)oxyhexan-3-amine
CID 106800887

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylquinolin-8-yl)oxy-3-(propylamino)butan-1-ol?
The IUPAC name of 4-(2-methylquinolin-8-yl)oxy-3-(propylamino)butan-1-ol (CID 64900145) is 4-(2-methylquinolin-8-yl)oxy-3-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(2-methylquinolin-8-yl)oxy-3-(propylamino)butan-1-ol?
The canonical SMILES for 4-(2-methylquinolin-8-yl)oxy-3-(propylamino)butan-1-ol is CCCNC(CCO)COc1cccc2ccc(C)nc12.
What is the InChIKey of 4-(2-methylquinolin-8-yl)oxy-3-(propylamino)butan-1-ol?
The InChIKey is MGKWBLOWKZNGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-10-18-15(9-11-20)12-21-16-6-4-5-14-8-7-13(2)19-17(14)16/h4-8,15,18,20H,3,9-12H2,1-2H3.
What are the key properties of 4-(2-methylquinolin-8-yl)oxy-3-(propylamino)butan-1-ol?
4-(2-methylquinolin-8-yl)oxy-3-(propylamino)butan-1-ol has a molecular weight of 288.39 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylquinolin-8-yl)oxy-3-(propylamino)butan-1-ol is sourced from PubChem (CID 64900145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).