3-(2-methylquinolin-6-yl)-3-(propylamino)propan-1-ol

C16H22N2O — CID 105379697

IUPAC3-(2-methylquinolin-6-yl)-3-(propylamino)propan-1-ol
SMILESCCCNC(CCO)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C16H22N2O/c1-3-9-17-15(8-10-19)13-6-7-16-14(11-13)5-4-12(2)18-16/h4-7,11,15,17,19H,3,8-10H2,1-2H3
InChIKeySXPGTMLIKRVXAM-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.97
Rot. Bonds6

About 3-(2-methylquinolin-6-yl)-3-(propylamino)propan-1-ol

3-(2-methylquinolin-6-yl)-3-(propylamino)propan-1-ol (PubChem CID 105379697) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-(2-methylquinolin-6-yl)-3-(propylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2-methylquinolin-6-yl)-3-(propylamino)propan-1-ol
PubChem CID105379697
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name3-(2-methylquinolin-6-yl)-3-(propylamino)propan-1-ol
SMILESCCCNC(CCO)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C16H22N2O/c1-3-9-17-15(8-10-19)13-6-7-16-14(11-13)5-4-12(2)18-16/h4-7,11,15,17,19H,3,8-10H2,1-2H3
InChIKeySXPGTMLIKRVXAM-UHFFFAOYSA-N
XLogP2.97
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylquinolin-6-yl)-2-(propylamino)ethanol
CID 105379248
1-(2-methylquinolin-6-yl)-N-propylpropan-1-amine
CID 81220852
1-(2-methylquinolin-6-yl)-3-methylsulfanyl-N-propylpropan-1-amine
CID 105172233
3-methyl-1-(2-methylquinolin-6-yl)-N-propylbutan-1-amine
CID 81220093
methyl 3-(2-methylquinolin-6-yl)-3-(propylamino)propanoate
CID 105379694
N-[1-(2-methylquinolin-6-yl)-2-propylsulfanylethyl]propan-1-amine
CID 81228646
3-naphthalen-2-yl-3-(propylamino)propan-1-ol
CID 64814482
1-(2-methylquinolin-6-yl)butane-1,2,4-triol
CID 171873072
2-(2-methylpropylamino)-2-(2-methylquinolin-6-yl)ethanol
CID 105379246
N-[(2-methylquinolin-6-yl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 105379123
4-amino-3-(2-methylquinolin-6-yl)butan-1-ol
CID 105379707
N-[(2-methylquinolin-6-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
CID 81229898

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylquinolin-6-yl)-3-(propylamino)propan-1-ol?
The IUPAC name of 3-(2-methylquinolin-6-yl)-3-(propylamino)propan-1-ol (CID 105379697) is 3-(2-methylquinolin-6-yl)-3-(propylamino)propan-1-ol.
What is the SMILES notation for 3-(2-methylquinolin-6-yl)-3-(propylamino)propan-1-ol?
The canonical SMILES for 3-(2-methylquinolin-6-yl)-3-(propylamino)propan-1-ol is CCCNC(CCO)c1ccc2nc(C)ccc2c1.
What is the InChIKey of 3-(2-methylquinolin-6-yl)-3-(propylamino)propan-1-ol?
The InChIKey is SXPGTMLIKRVXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-9-17-15(8-10-19)13-6-7-16-14(11-13)5-4-12(2)18-16/h4-7,11,15,17,19H,3,8-10H2,1-2H3.
What are the key properties of 3-(2-methylquinolin-6-yl)-3-(propylamino)propan-1-ol?
3-(2-methylquinolin-6-yl)-3-(propylamino)propan-1-ol has a molecular weight of 258.37 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylquinolin-6-yl)-3-(propylamino)propan-1-ol is sourced from PubChem (CID 105379697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).