3-[(2-methylquinolin-4-yl)methylamino]butan-1-ol

C15H20N2O — CID 78998387

IUPAC3-[(2-methylquinolin-4-yl)methylamino]butan-1-ol
SMILESCc1cc(CNC(C)CCO)c2ccccc2n1
InChIInChI=1S/C15H20N2O/c1-11(7-8-18)16-10-13-9-12(2)17-15-6-4-3-5-14(13)15/h3-6,9,11,16,18H,7-8,10H2,1-2H3
InChIKeyHLNPNGZOBHXTJM-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.40
Rot. Bonds5

About 3-[(2-methylquinolin-4-yl)methylamino]butan-1-ol

3-[(2-methylquinolin-4-yl)methylamino]butan-1-ol (PubChem CID 78998387) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-[(2-methylquinolin-4-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3-[(2-methylquinolin-4-yl)methylamino]butan-1-ol
PubChem CID78998387
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-[(2-methylquinolin-4-yl)methylamino]butan-1-ol
SMILESCc1cc(CNC(C)CCO)c2ccccc2n1
InChIInChI=1S/C15H20N2O/c1-11(7-8-18)16-10-13-9-12(2)17-15-6-4-3-5-14(13)15/h3-6,9,11,16,18H,7-8,10H2,1-2H3
InChIKeyHLNPNGZOBHXTJM-UHFFFAOYSA-N
XLogP2.40
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[(2-methylquinolin-4-yl)methyl]hexan-2-amine
CID 78942763
N-[(2-methylquinolin-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 78943042
2-methyl-N-[(2-methylquinolin-4-yl)methyl]pentan-3-amine
CID 78942769
3-methyl-2-[(2-methylquinolin-4-yl)methylamino]butanoic acid
CID 79235216
1-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
CID 78943029
N-[(2-methylquinolin-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 78943040
3-methoxy-2-[(2-methylquinolin-4-yl)methylamino]propan-1-ol
CID 106187151
1-imidazol-1-yl-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
CID 78943044
(2S)-1-(4-methylpyrazol-1-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
CID 95289221
(1S)-N-[(2-methylquinolin-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398233
3-methyl-1-(2-methylquinolin-4-yl)butan-2-ol
CID 63205399
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylquinolin-4-yl)methylamino]butan-1-ol?
The IUPAC name of 3-[(2-methylquinolin-4-yl)methylamino]butan-1-ol (CID 78998387) is 3-[(2-methylquinolin-4-yl)methylamino]butan-1-ol.
What is the SMILES notation for 3-[(2-methylquinolin-4-yl)methylamino]butan-1-ol?
The canonical SMILES for 3-[(2-methylquinolin-4-yl)methylamino]butan-1-ol is Cc1cc(CNC(C)CCO)c2ccccc2n1.
What is the InChIKey of 3-[(2-methylquinolin-4-yl)methylamino]butan-1-ol?
The InChIKey is HLNPNGZOBHXTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(7-8-18)16-10-13-9-12(2)17-15-6-4-3-5-14(13)15/h3-6,9,11,16,18H,7-8,10H2,1-2H3.
What are the key properties of 3-[(2-methylquinolin-4-yl)methylamino]butan-1-ol?
3-[(2-methylquinolin-4-yl)methylamino]butan-1-ol has a molecular weight of 244.34 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylquinolin-4-yl)methylamino]butan-1-ol is sourced from PubChem (CID 78998387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).