1-(2-aminoethyl)-3-(dimethoxymethyl)-7-phenoxyquinolin-2-one

C20H22N2O4 — CID 143687924

IUPAC1-(2-aminoethyl)-3-(dimethoxymethyl)-7-phenoxyquinolin-2-one
SMILESCOC(OC)c1cc2ccc(Oc3ccccc3)cc2n(CCN)c1=O
InChIInChI=1S/C20H22N2O4/c1-24-20(25-2)17-12-14-8-9-16(26-15-6-4-3-5-7-15)13-18(14)22(11-10-21)19(17)23/h3-9,12-13,20H,10-11,21H2,1-2H3
InChIKeyXFZKEFLJEDSXLM-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.04
Rot. Bonds7

About 1-(2-aminoethyl)-3-(dimethoxymethyl)-7-phenoxyquinolin-2-one

1-(2-aminoethyl)-3-(dimethoxymethyl)-7-phenoxyquinolin-2-one (PubChem CID 143687924) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-(dimethoxymethyl)-7-phenoxyquinolin-2-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-(dimethoxymethyl)-7-phenoxyquinolin-2-one
PubChem CID143687924
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name1-(2-aminoethyl)-3-(dimethoxymethyl)-7-phenoxyquinolin-2-one
SMILESCOC(OC)c1cc2ccc(Oc3ccccc3)cc2n(CCN)c1=O
InChIInChI=1S/C20H22N2O4/c1-24-20(25-2)17-12-14-8-9-16(26-15-6-4-3-5-7-15)13-18(14)22(11-10-21)19(17)23/h3-9,12-13,20H,10-11,21H2,1-2H3
InChIKeyXFZKEFLJEDSXLM-UHFFFAOYSA-N
XLogP3.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[[2-oxo-7-phenoxy-1-(4,4,4-trifluorobutyl)quinolin-3-yl]methylamino]propanamide
CID 143688101
1-(1-methoxypropan-2-yl)-2-oxo-7-phenoxyquinoline-3-carbaldehyde
CID 143687888
7-chloro-3-methyl-1-(2-phenoxyethyl)quinolin-2-one
CID 169128473
3-(4-aminobutan-2-yl)-1-ethylquinolin-2-one
CID 116985536
ethyl 5-[[[1-(2-ethoxyethyl)-2-oxo-7-phenoxyquinolin-3-yl]methylamino]methyl]furan-2-carboxylate
CID 143688154
ethane;1-(2-ethoxyethyl)-3-[(4-methyl-1,4-diazepan-1-yl)methyl]-7-phenoxyquinolin-2-one;propan-2-yl formate
CID 143687920
2-[[7-(3-chlorophenoxy)-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide
CID 143687973
tert-butyl 4-[[1-(2-ethoxyethyl)-2-oxo-7-phenoxyquinolin-3-yl]methyl]piperazine-1-carboxylate
CID 143687901
N,N-dibutyl-2-(7-methoxy-2-oxo-3-propan-2-ylquinolin-1-yl)acetamide
CID 68999797
ethyl 4-hydroxy-1-methyl-2-oxo-7-phenoxyquinoline-3-carboxylate
CID 76852698
4-[3-methyl-2-oxo-7-(4-phenoxyphenyl)quinoxalin-1-yl]butanoic acid
CID 46205265
7-chloro-3-[(1-methoxypropan-2-ylamino)methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 45172315

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-(dimethoxymethyl)-7-phenoxyquinolin-2-one?
The IUPAC name of 1-(2-aminoethyl)-3-(dimethoxymethyl)-7-phenoxyquinolin-2-one (CID 143687924) is 1-(2-aminoethyl)-3-(dimethoxymethyl)-7-phenoxyquinolin-2-one.
What is the SMILES notation for 1-(2-aminoethyl)-3-(dimethoxymethyl)-7-phenoxyquinolin-2-one?
The canonical SMILES for 1-(2-aminoethyl)-3-(dimethoxymethyl)-7-phenoxyquinolin-2-one is COC(OC)c1cc2ccc(Oc3ccccc3)cc2n(CCN)c1=O.
What is the InChIKey of 1-(2-aminoethyl)-3-(dimethoxymethyl)-7-phenoxyquinolin-2-one?
The InChIKey is XFZKEFLJEDSXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-24-20(25-2)17-12-14-8-9-16(26-15-6-4-3-5-7-15)13-18(14)22(11-10-21)19(17)23/h3-9,12-13,20H,10-11,21H2,1-2H3.
What are the key properties of 1-(2-aminoethyl)-3-(dimethoxymethyl)-7-phenoxyquinolin-2-one?
1-(2-aminoethyl)-3-(dimethoxymethyl)-7-phenoxyquinolin-2-one has a molecular weight of 354.41 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-(dimethoxymethyl)-7-phenoxyquinolin-2-one is sourced from PubChem (CID 143687924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).