methyl 4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate

C17H21N3O3 — CID 110363188

IUPACmethyl 4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(Cc2cc3cc(C)ccc3[nH]c2=O)CC1
InChIInChI=1S/C17H21N3O3/c1-12-3-4-15-13(9-12)10-14(16(21)18-15)11-19-5-7-20(8-6-19)17(22)23-2/h3-4,9-10H,5-8,11H2,1-2H3,(H,18,21)
InChIKeyLATRPSOMRGBCRF-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.72
Rot. Bonds2

About methyl 4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate

methyl 4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate (PubChem CID 110363188) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is methyl 4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate
PubChem CID110363188
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Namemethyl 4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(Cc2cc3cc(C)ccc3[nH]c2=O)CC1
InChIInChI=1S/C17H21N3O3/c1-12-3-4-15-13(9-12)10-14(16(21)18-15)11-19-5-7-20(8-6-19)17(22)23-2/h3-4,9-10H,5-8,11H2,1-2H3,(H,18,21)
InChIKeyLATRPSOMRGBCRF-UHFFFAOYSA-N
XLogP1.72
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-3-[[4-(3-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 110363164
phenyl 4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate
CID 110363139
3-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1H-quinolin-2-one
CID 53174689
4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 110363142
3-[(4-benzoylpiperazin-1-yl)methyl]-7-methyl-1H-quinolin-2-one
CID 110363111
6-ethyl-3-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 110363280
3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 53174716
4-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 110363310
3-[(3-hydroxy-3-phenylpyrrolidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 56710630
3-[(3-ethyl-4-propan-2-ylpiperazin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 56719778
methyl 4-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxylate
CID 48558731
4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde
CID 110331208

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate (CID 110363188) is methyl 4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate is COC(=O)N1CCN(Cc2cc3cc(C)ccc3[nH]c2=O)CC1.
What is the InChIKey of methyl 4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate?
The InChIKey is LATRPSOMRGBCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-3-4-15-13(9-12)10-14(16(21)18-15)11-19-5-7-20(8-6-19)17(22)23-2/h3-4,9-10H,5-8,11H2,1-2H3,(H,18,21).
What are the key properties of methyl 4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate?
methyl 4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate is sourced from PubChem (CID 110363188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).