3-[(1S)-1-aminoethyl]-6-chloro-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one;hydrochloride

C18H19Cl2N3O2 — CID 118953782

IUPAC3-[(1S)-1-aminoethyl]-6-chloro-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one;hydrochloride
SMILESC[C@H](N)c1cc2cc(Cl)c(O[C@H](C)c3ccccn3)cc2[nH]c1=O.Cl
InChIInChI=1S/C18H18ClN3O2.ClH/c1-10(20)13-7-12-8-14(19)17(9-16(12)22-18(13)23)24-11(2)15-5-3-4-6-21-15;/h3-11H,20H2,1-2H3,(H,22,23);1H/t10-,11+;/m0./s1
InChIKeyJPHJMUPPJBHIFR-VZXYPILPSA-N
MW380.28 g/mol
LogP4.16
Rot. Bonds4

About 3-[(1S)-1-aminoethyl]-6-chloro-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one;hydrochloride

3-[(1S)-1-aminoethyl]-6-chloro-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one;hydrochloride (PubChem CID 118953782) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is 3-[(1S)-1-aminoethyl]-6-chloro-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[(1S)-1-aminoethyl]-6-chloro-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one;hydrochloride
PubChem CID118953782
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC Name3-[(1S)-1-aminoethyl]-6-chloro-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one;hydrochloride
SMILESC[C@H](N)c1cc2cc(Cl)c(O[C@H](C)c3ccccn3)cc2[nH]c1=O.Cl
InChIInChI=1S/C18H18ClN3O2.ClH/c1-10(20)13-7-12-8-14(19)17(9-16(12)22-18(13)23)24-11(2)15-5-3-4-6-21-15;/h3-11H,20H2,1-2H3,(H,22,23);1H/t10-,11+;/m0./s1
InChIKeyJPHJMUPPJBHIFR-VZXYPILPSA-N
XLogP4.16
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(1S)-1-aminoethyl]-6-chloro-7-[(1R)-1-pyridin-2-ylethoxy]-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-[(1S)-1-aminoethyl]-6-chloro-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 3-[(1S)-1-aminoethyl]-6-chloro-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one;hydrochloride (CID 118953782) is 3-[(1S)-1-aminoethyl]-6-chloro-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 3-[(1S)-1-aminoethyl]-6-chloro-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 3-[(1S)-1-aminoethyl]-6-chloro-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one;hydrochloride is C[C@H](N)c1cc2cc(Cl)c(O[C@H](C)c3ccccn3)cc2[nH]c1=O.Cl.
What is the InChIKey of 3-[(1S)-1-aminoethyl]-6-chloro-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one;hydrochloride?
The InChIKey is JPHJMUPPJBHIFR-VZXYPILPSA-N. The full InChI is InChI=1S/C18H18ClN3O2.ClH/c1-10(20)13-7-12-8-14(19)17(9-16(12)22-18(13)23)24-11(2)15-5-3-4-6-21-15;/h3-11H,20H2,1-2H3,(H,22,23);1H/t10-,11+;/m0./s1.
What are the key properties of 3-[(1S)-1-aminoethyl]-6-chloro-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one;hydrochloride?
3-[(1S)-1-aminoethyl]-6-chloro-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one;hydrochloride has a molecular weight of 380.28 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-aminoethyl]-6-chloro-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 118953782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).