3-methyl-4-[(3-methylquinolin-4-yl)amino]butan-2-ol

C15H20N2O — CID 166303875

IUPAC3-methyl-4-[(3-methylquinolin-4-yl)amino]butan-2-ol
SMILESCc1cnc2ccccc2c1NCC(C)C(C)O
InChIInChI=1S/C15H20N2O/c1-10(12(3)18)8-17-15-11(2)9-16-14-7-5-4-6-13(14)15/h4-7,9-10,12,18H,8H2,1-3H3,(H,16,17)
InChIKeyGAAFTHASMSAVMM-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.97
Rot. Bonds4

About 3-methyl-4-[(3-methylquinolin-4-yl)amino]butan-2-ol

3-methyl-4-[(3-methylquinolin-4-yl)amino]butan-2-ol (PubChem CID 166303875) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-methyl-4-[(3-methylquinolin-4-yl)amino]butan-2-ol.

Molecular Properties

Compound Name3-methyl-4-[(3-methylquinolin-4-yl)amino]butan-2-ol
PubChem CID166303875
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-methyl-4-[(3-methylquinolin-4-yl)amino]butan-2-ol
SMILESCc1cnc2ccccc2c1NCC(C)C(C)O
InChIInChI=1S/C15H20N2O/c1-10(12(3)18)8-17-15-11(2)9-16-14-7-5-4-6-13(14)15/h4-7,9-10,12,18H,8H2,1-3H3,(H,16,17)
InChIKeyGAAFTHASMSAVMM-UHFFFAOYSA-N
XLogP2.97
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(3-methylquinolin-4-yl)amino]butan-2-ol?
The IUPAC name of 3-methyl-4-[(3-methylquinolin-4-yl)amino]butan-2-ol (CID 166303875) is 3-methyl-4-[(3-methylquinolin-4-yl)amino]butan-2-ol.
What is the SMILES notation for 3-methyl-4-[(3-methylquinolin-4-yl)amino]butan-2-ol?
The canonical SMILES for 3-methyl-4-[(3-methylquinolin-4-yl)amino]butan-2-ol is Cc1cnc2ccccc2c1NCC(C)C(C)O.
What is the InChIKey of 3-methyl-4-[(3-methylquinolin-4-yl)amino]butan-2-ol?
The InChIKey is GAAFTHASMSAVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10(12(3)18)8-17-15-11(2)9-16-14-7-5-4-6-13(14)15/h4-7,9-10,12,18H,8H2,1-3H3,(H,16,17).
What are the key properties of 3-methyl-4-[(3-methylquinolin-4-yl)amino]butan-2-ol?
3-methyl-4-[(3-methylquinolin-4-yl)amino]butan-2-ol has a molecular weight of 244.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(3-methylquinolin-4-yl)amino]butan-2-ol is sourced from PubChem (CID 166303875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).