4-[methyl(quinolin-4-ylmethyl)amino]butan-2-ol

C15H20N2O — CID 115883104

IUPAC4-[methyl(quinolin-4-ylmethyl)amino]butan-2-ol
SMILESCC(O)CCN(C)Cc1ccnc2ccccc12
InChIInChI=1S/C15H20N2O/c1-12(18)8-10-17(2)11-13-7-9-16-15-6-4-3-5-14(13)15/h3-7,9,12,18H,8,10-11H2,1-2H3
InChIKeyCWBCOFVUBLOEBL-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.44
Rot. Bonds5

About 4-[methyl(quinolin-4-ylmethyl)amino]butan-2-ol

4-[methyl(quinolin-4-ylmethyl)amino]butan-2-ol (PubChem CID 115883104) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-[methyl(quinolin-4-ylmethyl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[methyl(quinolin-4-ylmethyl)amino]butan-2-ol
PubChem CID115883104
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-[methyl(quinolin-4-ylmethyl)amino]butan-2-ol
SMILESCC(O)CCN(C)Cc1ccnc2ccccc12
InChIInChI=1S/C15H20N2O/c1-12(18)8-10-17(2)11-13-7-9-16-15-6-4-3-5-14(13)15/h3-7,9,12,18H,8,10-11H2,1-2H3
InChIKeyCWBCOFVUBLOEBL-UHFFFAOYSA-N
XLogP2.44
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-methyl-N-(quinolin-4-ylmethyl)propan-1-amine
CID 79240214
6-quinolin-4-ylhexan-2-ol
CID 90935921
3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide
CID 79234905
2-methyl-3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide
CID 79235329
4-[[3-hydroxybutyl(methyl)amino]methyl]-2H-isoquinolin-1-one
CID 166265205
N-methyl-2-pyrrol-1-yl-N-(quinolin-4-ylmethyl)propanamide
CID 56863740
2-[2-hydroxyethyl(methyl)amino]-N-(quinolin-4-ylmethyl)acetamide
CID 91795310
4-[methyl(quinazolin-4-yl)amino]butan-2-ol
CID 115658266
4-methyl-3-(quinolin-4-ylmethylamino)pentan-2-one
CID 143524850
2-[2-methylpropyl(quinolin-4-ylmethyl)amino]acetic acid
CID 65063950
4-[[methyl(quinolin-4-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 28642233
2-[[3-hydroxybutyl(methyl)amino]methyl]benzonitrile
CID 71988951

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(quinolin-4-ylmethyl)amino]butan-2-ol?
The IUPAC name of 4-[methyl(quinolin-4-ylmethyl)amino]butan-2-ol (CID 115883104) is 4-[methyl(quinolin-4-ylmethyl)amino]butan-2-ol.
What is the SMILES notation for 4-[methyl(quinolin-4-ylmethyl)amino]butan-2-ol?
The canonical SMILES for 4-[methyl(quinolin-4-ylmethyl)amino]butan-2-ol is CC(O)CCN(C)Cc1ccnc2ccccc12.
What is the InChIKey of 4-[methyl(quinolin-4-ylmethyl)amino]butan-2-ol?
The InChIKey is CWBCOFVUBLOEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12(18)8-10-17(2)11-13-7-9-16-15-6-4-3-5-14(13)15/h3-7,9,12,18H,8,10-11H2,1-2H3.
What are the key properties of 4-[methyl(quinolin-4-ylmethyl)amino]butan-2-ol?
4-[methyl(quinolin-4-ylmethyl)amino]butan-2-ol has a molecular weight of 244.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(quinolin-4-ylmethyl)amino]butan-2-ol is sourced from PubChem (CID 115883104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).