3-(1-aminoethyl)-8-chloro-5-methoxy-1H-quinolin-2-one

C12H13ClN2O2 — CID 84634732

IUPAC3-(1-aminoethyl)-8-chloro-5-methoxy-1H-quinolin-2-one
SMILESCOc1ccc(Cl)c2[nH]c(=O)c(C(C)N)cc12
InChIInChI=1S/C12H13ClN2O2/c1-6(14)7-5-8-10(17-2)4-3-9(13)11(8)15-12(7)16/h3-6H,14H2,1-2H3,(H,15,16)
InChIKeyYQORUWZHIPYRFS-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.21
Rot. Bonds2

About 3-(1-aminoethyl)-8-chloro-5-methoxy-1H-quinolin-2-one

3-(1-aminoethyl)-8-chloro-5-methoxy-1H-quinolin-2-one (PubChem CID 84634732) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 3-(1-aminoethyl)-8-chloro-5-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-8-chloro-5-methoxy-1H-quinolin-2-one
PubChem CID84634732
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name3-(1-aminoethyl)-8-chloro-5-methoxy-1H-quinolin-2-one
SMILESCOc1ccc(Cl)c2[nH]c(=O)c(C(C)N)cc12
InChIInChI=1S/C12H13ClN2O2/c1-6(14)7-5-8-10(17-2)4-3-9(13)11(8)15-12(7)16/h3-6H,14H2,1-2H3,(H,15,16)
InChIKeyYQORUWZHIPYRFS-UHFFFAOYSA-N
XLogP2.21
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-4-methoxy-2-propan-2-yl-1H-indole
CID 83642855
3-(1-aminoethyl)-8-chloro-5-methoxy-1-methylquinolin-2-one
CID 84640265
3-(1-aminoethyl)-5,7-dimethoxy-1H-quinolin-2-one
CID 84633036
5-(1-aminoethyl)-3-(3-chloro-4-methoxyphenyl)-1H-pyridazin-6-one
CID 82446359
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine
CID 84693142
1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 167530953
1-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)propan-2-amine
CID 82499491
2-azaspiro[4.5]decan-2-yl-(7-chloro-4-methoxy-1H-indol-2-yl)methanone
CID 167229545
4-(1-aminoethyl)-6-chloro-2,3-dimethoxybenzaldehyde
CID 84704040
7-chloro-4-methoxy-3-propan-2-yl-1H-indole
CID 131970997
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)-3-methylbutan-1-amine
CID 171221545

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-8-chloro-5-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-(1-aminoethyl)-8-chloro-5-methoxy-1H-quinolin-2-one (CID 84634732) is 3-(1-aminoethyl)-8-chloro-5-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-(1-aminoethyl)-8-chloro-5-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-(1-aminoethyl)-8-chloro-5-methoxy-1H-quinolin-2-one is COc1ccc(Cl)c2[nH]c(=O)c(C(C)N)cc12.
What is the InChIKey of 3-(1-aminoethyl)-8-chloro-5-methoxy-1H-quinolin-2-one?
The InChIKey is YQORUWZHIPYRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-6(14)7-5-8-10(17-2)4-3-9(13)11(8)15-12(7)16/h3-6H,14H2,1-2H3,(H,15,16).
What are the key properties of 3-(1-aminoethyl)-8-chloro-5-methoxy-1H-quinolin-2-one?
3-(1-aminoethyl)-8-chloro-5-methoxy-1H-quinolin-2-one has a molecular weight of 252.70 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-8-chloro-5-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 84634732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).