3-[(1S)-1-aminoethyl]-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one

C17H16ClN3O2 — CID 118953623

IUPAC3-[(1S)-1-aminoethyl]-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one
SMILESC[C@H](N)c1cc2cc(Cl)c(OCc3ccccn3)cc2[nH]c1=O
InChIInChI=1S/C17H16ClN3O2/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)/t10-/m0/s1
InChIKeyJVLZRHQEGOUWTG-JTQLQIEISA-N
MW329.79 g/mol
LogP3.18
Rot. Bonds4

About 3-[(1S)-1-aminoethyl]-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one

3-[(1S)-1-aminoethyl]-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one (PubChem CID 118953623) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 3-[(1S)-1-aminoethyl]-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(1S)-1-aminoethyl]-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one
PubChem CID118953623
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name3-[(1S)-1-aminoethyl]-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one
SMILESC[C@H](N)c1cc2cc(Cl)c(OCc3ccccn3)cc2[nH]c1=O
InChIInChI=1S/C17H16ClN3O2/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)/t10-/m0/s1
InChIKeyJVLZRHQEGOUWTG-JTQLQIEISA-N
XLogP3.18
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-aminoethyl]-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one?
The IUPAC name of 3-[(1S)-1-aminoethyl]-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one (CID 118953623) is 3-[(1S)-1-aminoethyl]-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one.
What is the SMILES notation for 3-[(1S)-1-aminoethyl]-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one?
The canonical SMILES for 3-[(1S)-1-aminoethyl]-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one is C[C@H](N)c1cc2cc(Cl)c(OCc3ccccn3)cc2[nH]c1=O.
What is the InChIKey of 3-[(1S)-1-aminoethyl]-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one?
The InChIKey is JVLZRHQEGOUWTG-JTQLQIEISA-N. The full InChI is InChI=1S/C17H16ClN3O2/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)/t10-/m0/s1.
What are the key properties of 3-[(1S)-1-aminoethyl]-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one?
3-[(1S)-1-aminoethyl]-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one has a molecular weight of 329.79 g/mol, XLogP of 3.18, 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-(pyridin-2-ylmethoxy)-1H-quinolin-2-one is sourced from PubChem (CID 118953623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).