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

C18H18ClN3O2 — CID 118953728

IUPAC3-[(1S)-1-aminoethyl]-6-chloro-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one
SMILESC[C@H](N)c1cc2cc(Cl)c(O[C@H](C)c3ccccn3)cc2[nH]c1=O
InChIInChI=1S/C18H18ClN3O2/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)/t10-,11+/m0/s1
InChIKeyXAQHPLBJLOMYJW-WDEREUQCSA-N
MW343.81 g/mol
LogP3.74
Rot. Bonds4

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

3-[(1S)-1-aminoethyl]-6-chloro-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one (PubChem CID 118953728) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 3-[(1S)-1-aminoethyl]-6-chloro-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(1S)-1-aminoethyl]-6-chloro-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one
PubChem CID118953728
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name3-[(1S)-1-aminoethyl]-6-chloro-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one
SMILESC[C@H](N)c1cc2cc(Cl)c(O[C@H](C)c3ccccn3)cc2[nH]c1=O
InChIInChI=1S/C18H18ClN3O2/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)/t10-,11+/m0/s1
InChIKeyXAQHPLBJLOMYJW-WDEREUQCSA-N
XLogP3.74
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.74
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-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one?
The IUPAC name of 3-[(1S)-1-aminoethyl]-6-chloro-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one (CID 118953728) is 3-[(1S)-1-aminoethyl]-6-chloro-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one.
What is the SMILES notation for 3-[(1S)-1-aminoethyl]-6-chloro-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one?
The canonical SMILES for 3-[(1S)-1-aminoethyl]-6-chloro-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one is C[C@H](N)c1cc2cc(Cl)c(O[C@H](C)c3ccccn3)cc2[nH]c1=O.
What is the InChIKey of 3-[(1S)-1-aminoethyl]-6-chloro-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one?
The InChIKey is XAQHPLBJLOMYJW-WDEREUQCSA-N. The full InChI is InChI=1S/C18H18ClN3O2/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)/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?
3-[(1S)-1-aminoethyl]-6-chloro-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one has a molecular weight of 343.81 g/mol, XLogP of 3.74, 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 is sourced from PubChem (CID 118953728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).