2-[5-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methylamino]-2-pyridinyl]ethanol

C18H23N3O — CID 136569141

IUPAC2-[5-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methylamino]-2-pyridinyl]ethanol
SMILESCc1cc(CNc2ccc(CCO)nc2)c2c(n1)CCCC2
InChIInChI=1S/C18H23N3O/c1-13-10-14(17-4-2-3-5-18(17)21-13)11-19-16-7-6-15(8-9-22)20-12-16/h6-7,10,12,19,22H,2-5,8-9,11H2,1H3
InChIKeyVLNMURPCIXUIRK-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.81
Rot. Bonds5

About 2-[5-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methylamino]-2-pyridinyl]ethanol

2-[5-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methylamino]-2-pyridinyl]ethanol (PubChem CID 136569141) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[5-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methylamino]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name2-[5-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methylamino]-2-pyridinyl]ethanol
PubChem CID136569141
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-[5-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methylamino]-2-pyridinyl]ethanol
SMILESCc1cc(CNc2ccc(CCO)nc2)c2c(n1)CCCC2
InChIInChI=1S/C18H23N3O/c1-13-10-14(17-4-2-3-5-18(17)21-13)11-19-16-7-6-15(8-9-22)20-12-16/h6-7,10,12,19,22H,2-5,8-9,11H2,1H3
InChIKeyVLNMURPCIXUIRK-UHFFFAOYSA-N
XLogP2.81
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methylamino]-2-pyridinyl]ethanol?
The IUPAC name of 2-[5-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methylamino]-2-pyridinyl]ethanol (CID 136569141) is 2-[5-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methylamino]-2-pyridinyl]ethanol.
What is the SMILES notation for 2-[5-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methylamino]-2-pyridinyl]ethanol?
The canonical SMILES for 2-[5-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methylamino]-2-pyridinyl]ethanol is Cc1cc(CNc2ccc(CCO)nc2)c2c(n1)CCCC2.
What is the InChIKey of 2-[5-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methylamino]-2-pyridinyl]ethanol?
The InChIKey is VLNMURPCIXUIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-10-14(17-4-2-3-5-18(17)21-13)11-19-16-7-6-15(8-9-22)20-12-16/h6-7,10,12,19,22H,2-5,8-9,11H2,1H3.
What are the key properties of 2-[5-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methylamino]-2-pyridinyl]ethanol?
2-[5-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methylamino]-2-pyridinyl]ethanol has a molecular weight of 297.40 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methylamino]-2-pyridinyl]ethanol is sourced from PubChem (CID 136569141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).