ethyl 4-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate

C21H27N3O4 — CID 110331739

IUPACethyl 4-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCc2cc3c(C)cc(C)cc3[nH]c2=O)CC1
InChIInChI=1S/C21H27N3O4/c1-4-28-21(27)24-9-7-23(8-10-24)19(25)6-5-16-13-17-15(3)11-14(2)12-18(17)22-20(16)26/h11-13H,4-10H2,1-3H3,(H,22,26)
InChIKeyUQPNZNVUZZNMIZ-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.38
Rot. Bonds4

About ethyl 4-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate

ethyl 4-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate (PubChem CID 110331739) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is ethyl 4-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate
PubChem CID110331739
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Nameethyl 4-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCc2cc3c(C)cc(C)cc3[nH]c2=O)CC1
InChIInChI=1S/C21H27N3O4/c1-4-28-21(27)24-9-7-23(8-10-24)19(25)6-5-16-13-17-15(3)11-14(2)12-18(17)22-20(16)26/h11-13H,4-10H2,1-3H3,(H,22,26)
InChIKeyUQPNZNVUZZNMIZ-UHFFFAOYSA-N
XLogP2.38
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate with MolForge

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Related Compounds

5,7-dimethyl-3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one
CID 110331696
5,7-dimethyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one
CID 110331741
ethyl 4-[3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate
CID 110298870
3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-phenylethyl)propanamide
CID 110331725
ethyl 4-[3-(2-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 110756038
3-acetamido-N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110415464
7-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-quinolin-2-one
CID 53174869
7-methyl-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]-1H-quinolin-2-one
CID 53174829
4-[3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde
CID 110331540
3-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1H-quinolin-2-one
CID 53174689
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-fluorophenyl)propanamide
CID 110415422
ethyl 4-[3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 41455579

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate (CID 110331739) is ethyl 4-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CCc2cc3c(C)cc(C)cc3[nH]c2=O)CC1.
What is the InChIKey of ethyl 4-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate?
The InChIKey is UQPNZNVUZZNMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-4-28-21(27)24-9-7-23(8-10-24)19(25)6-5-16-13-17-15(3)11-14(2)12-18(17)22-20(16)26/h11-13H,4-10H2,1-3H3,(H,22,26).
What are the key properties of ethyl 4-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate?
ethyl 4-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate has a molecular weight of 385.46 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 110331739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).