3-(1-aminoethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one;hydrochloride

C17H17Cl2N3O2 — CID 118953721

IUPAC3-(1-aminoethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one;hydrochloride
SMILESCC(N)c1cc2cc(Cl)c(OCc3ccccn3)cc2[nH]c1=O.Cl
InChIInChI=1S/C17H16ClN3O2.ClH/c1-10(19)13-6-11-7-14(18)16(8-15(11)21-17(13)22)23-9-12-4-2-3-5-20-12;/h2-8,10H,9,19H2,1H3,(H,21,22);1H
InChIKeyQDHLVEFZTAWZFZ-UHFFFAOYSA-N
MW366.25 g/mol
LogP3.60
Rot. Bonds4

About 3-(1-aminoethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one;hydrochloride

3-(1-aminoethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one;hydrochloride (PubChem CID 118953721) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 3-(1-aminoethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name3-(1-aminoethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one;hydrochloride
PubChem CID118953721
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name3-(1-aminoethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one;hydrochloride
SMILESCC(N)c1cc2cc(Cl)c(OCc3ccccn3)cc2[nH]c1=O.Cl
InChIInChI=1S/C17H16ClN3O2.ClH/c1-10(19)13-6-11-7-14(18)16(8-15(11)21-17(13)22)23-9-12-4-2-3-5-20-12;/h2-8,10H,9,19H2,1H3,(H,21,22);1H
InChIKeyQDHLVEFZTAWZFZ-UHFFFAOYSA-N
XLogP3.60
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(1-aminoethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 3-(1-aminoethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one;hydrochloride (CID 118953721) is 3-(1-aminoethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 3-(1-aminoethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 3-(1-aminoethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one;hydrochloride is CC(N)c1cc2cc(Cl)c(OCc3ccccn3)cc2[nH]c1=O.Cl.
What is the InChIKey of 3-(1-aminoethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one;hydrochloride?
The InChIKey is QDHLVEFZTAWZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2.ClH/c1-10(19)13-6-11-7-14(18)16(8-15(11)21-17(13)22)23-9-12-4-2-3-5-20-12;/h2-8,10H,9,19H2,1H3,(H,21,22);1H.
What are the key properties of 3-(1-aminoethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one;hydrochloride?
3-(1-aminoethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one;hydrochloride has a molecular weight of 366.25 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 118953721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).