ethyl 4-[3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate

C20H25N3O5 — CID 110298870

IUPACethyl 4-[3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCc2cc3ccc(OC)cc3[nH]c2=O)CC1
InChIInChI=1S/C20H25N3O5/c1-3-28-20(26)23-10-8-22(9-11-23)18(24)7-5-15-12-14-4-6-16(27-2)13-17(14)21-19(15)25/h4,6,12-13H,3,5,7-11H2,1-2H3,(H,21,25)
InChIKeyBEZAAYXDPRKRDJ-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.77
Rot. Bonds5

About ethyl 4-[3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate

ethyl 4-[3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate (PubChem CID 110298870) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is ethyl 4-[3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate
PubChem CID110298870
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Nameethyl 4-[3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCc2cc3ccc(OC)cc3[nH]c2=O)CC1
InChIInChI=1S/C20H25N3O5/c1-3-28-20(26)23-10-8-22(9-11-23)18(24)7-5-15-12-14-4-6-16(27-2)13-17(14)21-19(15)25/h4,6,12-13H,3,5,7-11H2,1-2H3,(H,21,25)
InChIKeyBEZAAYXDPRKRDJ-UHFFFAOYSA-N
XLogP1.77
TPSA91.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate with MolForge

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Related Compounds

7-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-quinolin-2-one
CID 53174869
ethyl 4-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate
CID 110331739
3-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-6-methoxy-1H-quinolin-2-one
CID 53174775
7-methyl-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]-1H-quinolin-2-one
CID 53174829
3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide
CID 110298877
6-methoxy-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one
CID 53174733
3-[4-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazin-1-yl]propanenitrile
CID 53174771
ethyl 4-[3-(4-methoxyphenyl)propanoyl]-1,4-diazepane-1-carboxylate
CID 110799154
N-butyl-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide
CID 110298878
3-[3-[4-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one
CID 53174835
3-[3-[4-(2,2-dimethylpropyl)piperazin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one
CID 110629324
N-(4-chlorophenyl)-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110298893

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate (CID 110298870) is ethyl 4-[3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CCc2cc3ccc(OC)cc3[nH]c2=O)CC1.
What is the InChIKey of ethyl 4-[3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate?
The InChIKey is BEZAAYXDPRKRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-3-28-20(26)23-10-8-22(9-11-23)18(24)7-5-15-12-14-4-6-16(27-2)13-17(14)21-19(15)25/h4,6,12-13H,3,5,7-11H2,1-2H3,(H,21,25).
What are the key properties of ethyl 4-[3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate?
ethyl 4-[3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate has a molecular weight of 387.44 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 110298870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).