2-[[7-(3-chlorophenoxy)-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide

C23H26ClN3O4 — CID 143687973

IUPAC2-[[7-(3-chlorophenoxy)-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide
SMILESCCOCCn1c(=O)c(CNC(C)C(N)=O)cc2ccc(Oc3cccc(Cl)c3)cc21
InChIInChI=1S/C23H26ClN3O4/c1-3-30-10-9-27-21-13-20(31-19-6-4-5-18(24)12-19)8-7-16(21)11-17(23(27)29)14-26-15(2)22(25)28/h4-8,11-13,15,26H,3,9-10,14H2,1-2H3,(H2,25,28)
InChIKeyZEAHQXNYVMDWJY-UHFFFAOYSA-N
MW443.93 g/mol
LogP3.45
Rot. Bonds10

About 2-[[7-(3-chlorophenoxy)-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide

2-[[7-(3-chlorophenoxy)-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide (PubChem CID 143687973) has the molecular formula C23H26ClN3O4 and a molecular weight of 443.93 g/mol. Its IUPAC name is 2-[[7-(3-chlorophenoxy)-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide.

Molecular Properties

Compound Name2-[[7-(3-chlorophenoxy)-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide
PubChem CID143687973
Molecular FormulaC23H26ClN3O4
Molecular Weight443.93 g/mol
Exact Mass443.16
IUPAC Name2-[[7-(3-chlorophenoxy)-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide
SMILESCCOCCn1c(=O)c(CNC(C)C(N)=O)cc2ccc(Oc3cccc(Cl)c3)cc21
InChIInChI=1S/C23H26ClN3O4/c1-3-30-10-9-27-21-13-20(31-19-6-4-5-18(24)12-19)8-7-16(21)11-17(23(27)29)14-26-15(2)22(25)28/h4-8,11-13,15,26H,3,9-10,14H2,1-2H3,(H2,25,28)
InChIKeyZEAHQXNYVMDWJY-UHFFFAOYSA-N
XLogP3.45
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.93
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[1-(2-ethoxyethyl)-7-(4-methoxyphenyl)-2-oxoquinolin-3-yl]methylamino]propanamide
CID 143687890
(2S)-2-[[7-cyano-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide
CID 143688133
2-[[2-oxo-7-phenoxy-1-(4,4,4-trifluorobutyl)quinolin-3-yl]methylamino]propanamide
CID 143688101
2-[[1-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-oxoquinolin-3-yl]methylamino]propanamide
CID 143688058
(2S)-2-[[1-(2-ethoxyethyl)-6-phenoxybenzimidazol-2-yl]methylamino]propanamide
CID 67427219
ethyl 5-[[[1-(2-ethoxyethyl)-2-oxo-7-phenoxyquinolin-3-yl]methylamino]methyl]furan-2-carboxylate
CID 143688154
7-chloro-3-[(1-methoxypropan-2-ylamino)methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 45172315
7-chloro-1-(2-phenoxyethyl)-3-[(1-thiophen-2-ylethylamino)methyl]quinolin-2-one
CID 45181917
ethane;1-(2-ethoxyethyl)-3-[(4-methyl-1,4-diazepan-1-yl)methyl]-7-phenoxyquinolin-2-one;propan-2-yl formate
CID 143687920
2-amino-N-[[1-(2-ethoxyethyl)-6-phenoxybenzimidazol-2-yl]methyl]acetamide
CID 67427274
N-[[7-chloro-2-oxo-1-(2-phenoxyethyl)quinolin-3-yl]methyl]pyridine-2-carboxamide
CID 163359187
(2S)-2-[[6-(4-fluorophenoxy)-1-(2-methoxyethyl)benzimidazol-2-yl]methylamino]propanamide
CID 58532117

Frequently Asked Questions

What is the IUPAC name of 2-[[7-(3-chlorophenoxy)-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide?
The IUPAC name of 2-[[7-(3-chlorophenoxy)-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide (CID 143687973) is 2-[[7-(3-chlorophenoxy)-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide.
What is the SMILES notation for 2-[[7-(3-chlorophenoxy)-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide?
The canonical SMILES for 2-[[7-(3-chlorophenoxy)-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide is CCOCCn1c(=O)c(CNC(C)C(N)=O)cc2ccc(Oc3cccc(Cl)c3)cc21.
What is the InChIKey of 2-[[7-(3-chlorophenoxy)-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide?
The InChIKey is ZEAHQXNYVMDWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O4/c1-3-30-10-9-27-21-13-20(31-19-6-4-5-18(24)12-19)8-7-16(21)11-17(23(27)29)14-26-15(2)22(25)28/h4-8,11-13,15,26H,3,9-10,14H2,1-2H3,(H2,25,28).
What are the key properties of 2-[[7-(3-chlorophenoxy)-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide?
2-[[7-(3-chlorophenoxy)-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide has a molecular weight of 443.93 g/mol, XLogP of 3.45, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(3-chlorophenoxy)-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide is sourced from PubChem (CID 143687973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).