6-[5-(1-aminoethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one;methane;hydrochloride

C18H24ClN3O — CID 159930466

IUPAC6-[5-(1-aminoethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one;methane;hydrochloride
SMILESC.CC(N)c1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1.Cl
InChIInChI=1S/C17H19N3O.CH4.ClH/c1-11(18)14-8-15(10-19-9-14)12-3-5-16-13(7-12)4-6-17(21)20(16)2;;/h3,5,7-11H,4,6,18H2,1-2H3;1H4;1H
InChIKeyAHBPOHUYDSCETR-UHFFFAOYSA-N
MW333.86 g/mol
LogP3.74
Rot. Bonds2

About 6-[5-(1-aminoethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one;methane;hydrochloride

6-[5-(1-aminoethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one;methane;hydrochloride (PubChem CID 159930466) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is 6-[5-(1-aminoethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one;methane;hydrochloride.

Molecular Properties

Compound Name6-[5-(1-aminoethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one;methane;hydrochloride
PubChem CID159930466
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC Name6-[5-(1-aminoethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one;methane;hydrochloride
SMILESC.CC(N)c1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1.Cl
InChIInChI=1S/C17H19N3O.CH4.ClH/c1-11(18)14-8-15(10-19-9-14)12-3-5-16-13(7-12)4-6-17(21)20(16)2;;/h3,5,7-11H,4,6,18H2,1-2H3;1H4;1H
InChIKeyAHBPOHUYDSCETR-UHFFFAOYSA-N
XLogP3.74
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(1-aminoethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one;methane;hydrochloride?
The IUPAC name of 6-[5-(1-aminoethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one;methane;hydrochloride (CID 159930466) is 6-[5-(1-aminoethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one;methane;hydrochloride.
What is the SMILES notation for 6-[5-(1-aminoethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one;methane;hydrochloride?
The canonical SMILES for 6-[5-(1-aminoethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one;methane;hydrochloride is C.CC(N)c1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1.Cl.
What is the InChIKey of 6-[5-(1-aminoethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one;methane;hydrochloride?
The InChIKey is AHBPOHUYDSCETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O.CH4.ClH/c1-11(18)14-8-15(10-19-9-14)12-3-5-16-13(7-12)4-6-17(21)20(16)2;;/h3,5,7-11H,4,6,18H2,1-2H3;1H4;1H.
What are the key properties of 6-[5-(1-aminoethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one;methane;hydrochloride?
6-[5-(1-aminoethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one;methane;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(1-aminoethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one;methane;hydrochloride is sourced from PubChem (CID 159930466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).