methyl 2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate

C18H23N3O3 — CID 730968

IUPACmethyl 2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2[nH]c(C)c(CN3CCN(C)CC3)c(=O)c2c1
InChIInChI=1S/C18H23N3O3/c1-12-15(11-21-8-6-20(2)7-9-21)17(22)14-10-13(18(23)24-3)4-5-16(14)19-12/h4-5,10H,6-9,11H2,1-3H3,(H,19,22)
InChIKeyGQRFSLIKGMXUQY-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.37
Rot. Bonds3

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

methyl 2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate (PubChem CID 730968) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is methyl 2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate
PubChem CID730968
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Namemethyl 2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2[nH]c(C)c(CN3CCN(C)CC3)c(=O)c2c1
InChIInChI=1S/C18H23N3O3/c1-12-15(11-21-8-6-20(2)7-9-21)17(22)14-10-13(18(23)24-3)4-5-16(14)19-12/h4-5,10H,6-9,11H2,1-3H3,(H,19,22)
InChIKeyGQRFSLIKGMXUQY-UHFFFAOYSA-N
XLogP1.37
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate?
The IUPAC name of methyl 2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate (CID 730968) is methyl 2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate.
What is the SMILES notation for methyl 2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate?
The canonical SMILES for methyl 2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate is COC(=O)c1ccc2[nH]c(C)c(CN3CCN(C)CC3)c(=O)c2c1.
What is the InChIKey of methyl 2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate?
The InChIKey is GQRFSLIKGMXUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-15(11-21-8-6-20(2)7-9-21)17(22)14-10-13(18(23)24-3)4-5-16(14)19-12/h4-5,10H,6-9,11H2,1-3H3,(H,19,22).
What are the key properties of methyl 2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate?
methyl 2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate is sourced from PubChem (CID 730968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).