3-(1-aminoethyl)-5,7-dimethoxy-1H-quinolin-2-one

C13H16N2O3 — CID 84633036

IUPAC3-(1-aminoethyl)-5,7-dimethoxy-1H-quinolin-2-one
SMILESCOc1cc(OC)c2cc(C(C)N)c(=O)[nH]c2c1
InChIInChI=1S/C13H16N2O3/c1-7(14)9-6-10-11(15-13(9)16)4-8(17-2)5-12(10)18-3/h4-7H,14H2,1-3H3,(H,15,16)
InChIKeyWQKCBROFDWIVKO-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.57
Rot. Bonds3

About 3-(1-aminoethyl)-5,7-dimethoxy-1H-quinolin-2-one

3-(1-aminoethyl)-5,7-dimethoxy-1H-quinolin-2-one (PubChem CID 84633036) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-(1-aminoethyl)-5,7-dimethoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-5,7-dimethoxy-1H-quinolin-2-one
PubChem CID84633036
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-(1-aminoethyl)-5,7-dimethoxy-1H-quinolin-2-one
SMILESCOc1cc(OC)c2cc(C(C)N)c(=O)[nH]c2c1
InChIInChI=1S/C13H16N2O3/c1-7(14)9-6-10-11(15-13(9)16)4-8(17-2)5-12(10)18-3/h4-7H,14H2,1-3H3,(H,15,16)
InChIKeyWQKCBROFDWIVKO-UHFFFAOYSA-N
XLogP1.57
TPSA77.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-aminoethyl)-8-chloro-5-methoxy-1H-quinolin-2-one
CID 84634732
3-(4-hydroxyphenyl)-5,7-dimethoxy-1H-quinolin-2-one
CID 10990147
1,3,8,9-tetramethoxy-5H-phenanthridin-6-one
CID 12803228
4-amino-N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pentanamide
CID 120564052
2-(4,6-dimethoxy-1H-benzimidazol-2-yl)-4,6-dimethoxy-1H-benzimidazole
CID 177451746
5,7-dimethoxy-2H-phthalazin-1-one
CID 21138693
6,7-dimethoxy-3-propan-2-yl-1H-quinolin-2-one
CID 154591387
methyl 4-methoxy-6-propan-2-yloxy-1H-indole-2-carboxylate
CID 156634395
3-(1-aminoethyl)-7-fluoro-1H-quinolin-2-one
CID 84620651
(1R)-1-(2-bromo-4,6-dimethoxyphenyl)ethanamine
CID 82759020
7-methoxy-5-methyl-1,4-dihydroquinoxaline-2,3-dione
CID 142746096
1-(2,3,5-trimethoxy(613C)cyclohexa-1,3,5-trien-1-yl)propan-2-amine
CID 71492453

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-5,7-dimethoxy-1H-quinolin-2-one?
The IUPAC name of 3-(1-aminoethyl)-5,7-dimethoxy-1H-quinolin-2-one (CID 84633036) is 3-(1-aminoethyl)-5,7-dimethoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-(1-aminoethyl)-5,7-dimethoxy-1H-quinolin-2-one?
The canonical SMILES for 3-(1-aminoethyl)-5,7-dimethoxy-1H-quinolin-2-one is COc1cc(OC)c2cc(C(C)N)c(=O)[nH]c2c1.
What is the InChIKey of 3-(1-aminoethyl)-5,7-dimethoxy-1H-quinolin-2-one?
The InChIKey is WQKCBROFDWIVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-7(14)9-6-10-11(15-13(9)16)4-8(17-2)5-12(10)18-3/h4-7H,14H2,1-3H3,(H,15,16).
What are the key properties of 3-(1-aminoethyl)-5,7-dimethoxy-1H-quinolin-2-one?
3-(1-aminoethyl)-5,7-dimethoxy-1H-quinolin-2-one has a molecular weight of 248.28 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-5,7-dimethoxy-1H-quinolin-2-one is sourced from PubChem (CID 84633036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).