4-(methylamino)-1-(2-methylquinolin-6-yl)butane-1,2-diol

C15H20N2O2 — CID 171890989

IUPAC4-(methylamino)-1-(2-methylquinolin-6-yl)butane-1,2-diol
SMILESCNCCC(O)C(O)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C15H20N2O2/c1-10-3-4-11-9-12(5-6-13(11)17-10)15(19)14(18)7-8-16-2/h3-6,9,14-16,18-19H,7-8H2,1-2H3
InChIKeyQLRSNMVKWQVRDL-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.55
Rot. Bonds5

About 4-(methylamino)-1-(2-methylquinolin-6-yl)butane-1,2-diol

4-(methylamino)-1-(2-methylquinolin-6-yl)butane-1,2-diol (PubChem CID 171890989) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(methylamino)-1-(2-methylquinolin-6-yl)butane-1,2-diol.

Molecular Properties

Compound Name4-(methylamino)-1-(2-methylquinolin-6-yl)butane-1,2-diol
PubChem CID171890989
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-(methylamino)-1-(2-methylquinolin-6-yl)butane-1,2-diol
SMILESCNCCC(O)C(O)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C15H20N2O2/c1-10-3-4-11-9-12(5-6-13(11)17-10)15(19)14(18)7-8-16-2/h3-6,9,14-16,18-19H,7-8H2,1-2H3
InChIKeyQLRSNMVKWQVRDL-UHFFFAOYSA-N
XLogP1.55
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylquinolin-6-yl)butane-1,2,4-triol
CID 171873072
1-(6-methoxynaphthalen-2-yl)-4-(methylamino)butane-1,2-diol
CID 171891027
2-methyl-1-(2-methylquinolin-6-yl)butan-1-ol
CID 81215900
3-azido-1-(2-methylquinolin-6-yl)propane-1,2-diol
CID 170826793
1-(2-methylquinolin-6-yl)propan-1-ol
CID 81216711
1-(3,4-difluorophenyl)-4-(methylamino)butane-1,2-diol
CID 171889799
3-(dimethylamino)-1-(2-methylquinolin-6-yl)propan-1-ol
CID 113291153
4-hydroxy-3-methyl-4-(2-methylquinolin-6-yl)butanoic acid
CID 105379295
N,4-dimethyl-1-(2-methylquinolin-6-yl)pentan-1-amine
CID 81231235
2-[hydroxy-(2-methylquinolin-6-yl)methyl]-3-methylbutanoic acid
CID 105379523
1-(3-chloro-4-hydroxyphenyl)-4-(methylamino)butane-1,2-diol
CID 171889814
4-(methylamino)-1-[3-methyl-4-(trifluoromethyl)phenyl]butane-1,2-diol
CID 171890727

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-1-(2-methylquinolin-6-yl)butane-1,2-diol?
The IUPAC name of 4-(methylamino)-1-(2-methylquinolin-6-yl)butane-1,2-diol (CID 171890989) is 4-(methylamino)-1-(2-methylquinolin-6-yl)butane-1,2-diol.
What is the SMILES notation for 4-(methylamino)-1-(2-methylquinolin-6-yl)butane-1,2-diol?
The canonical SMILES for 4-(methylamino)-1-(2-methylquinolin-6-yl)butane-1,2-diol is CNCCC(O)C(O)c1ccc2nc(C)ccc2c1.
What is the InChIKey of 4-(methylamino)-1-(2-methylquinolin-6-yl)butane-1,2-diol?
The InChIKey is QLRSNMVKWQVRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-3-4-11-9-12(5-6-13(11)17-10)15(19)14(18)7-8-16-2/h3-6,9,14-16,18-19H,7-8H2,1-2H3.
What are the key properties of 4-(methylamino)-1-(2-methylquinolin-6-yl)butane-1,2-diol?
4-(methylamino)-1-(2-methylquinolin-6-yl)butane-1,2-diol has a molecular weight of 260.34 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1-(2-methylquinolin-6-yl)butane-1,2-diol is sourced from PubChem (CID 171890989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).