methyl 6-methyl-4-oxo-7-[(4-phenylpiperazin-1-yl)methyl]-1H-quinoline-3-carboxylate

C23H25N3O3 — CID 135126779

IUPACmethyl 6-methyl-4-oxo-7-[(4-phenylpiperazin-1-yl)methyl]-1H-quinoline-3-carboxylate
SMILESCOC(=O)c1c[nH]c2cc(CN3CCN(c4ccccc4)CC3)c(C)cc2c1=O
InChIInChI=1S/C23H25N3O3/c1-16-12-19-21(24-14-20(22(19)27)23(28)29-2)13-17(16)15-25-8-10-26(11-9-25)18-6-4-3-5-7-18/h3-7,12-14H,8-11,15H2,1-2H3,(H,24,27)
InChIKeyGMCJARFVOZIDHY-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.95
Rot. Bonds4

About methyl 6-methyl-4-oxo-7-[(4-phenylpiperazin-1-yl)methyl]-1H-quinoline-3-carboxylate

methyl 6-methyl-4-oxo-7-[(4-phenylpiperazin-1-yl)methyl]-1H-quinoline-3-carboxylate (PubChem CID 135126779) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is methyl 6-methyl-4-oxo-7-[(4-phenylpiperazin-1-yl)methyl]-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-4-oxo-7-[(4-phenylpiperazin-1-yl)methyl]-1H-quinoline-3-carboxylate
PubChem CID135126779
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Namemethyl 6-methyl-4-oxo-7-[(4-phenylpiperazin-1-yl)methyl]-1H-quinoline-3-carboxylate
SMILESCOC(=O)c1c[nH]c2cc(CN3CCN(c4ccccc4)CC3)c(C)cc2c1=O
InChIInChI=1S/C23H25N3O3/c1-16-12-19-21(24-14-20(22(19)27)23(28)29-2)13-17(16)15-25-8-10-26(11-9-25)18-6-4-3-5-7-18/h3-7,12-14H,8-11,15H2,1-2H3,(H,24,27)
InChIKeyGMCJARFVOZIDHY-UHFFFAOYSA-N
XLogP2.95
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 6-methyl-4-oxo-7-[(4-phenylpiperazin-1-yl)methyl]-1H-quinoline-3-carboxylate with MolForge

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Related Compounds

Amquinate
CID 28414
Ethyl 4-hydroxybenzo(h)quinoline-3-carboxylate
CID 613604
6-Benzyl-3-ethoxycarbonyl-4-quinolone
CID 11529633
Gnf-PF-4421
CID 684193
Ethyl 6-isopropyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
CID 690399
propyl 6-benzyl-4-oxo-1H-quinoline-3-carboxylate
CID 11594914
ethyl 4-oxo-6-propyl-1H-quinoline-3-carboxylate
CID 11572455
methyl 6-butyl-4-oxo-1H-quinoline-3-carboxylate
CID 113716445
methyl 7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-6-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 135126780
methyl 7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 135126781
methyl 4-oxo-7-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-quinoline-3-carboxylate
CID 135127193
methyl 6-methyl-4-oxo-7-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-quinoline-3-carboxylate
CID 135127200

Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-4-oxo-7-[(4-phenylpiperazin-1-yl)methyl]-1H-quinoline-3-carboxylate?
The IUPAC name of methyl 6-methyl-4-oxo-7-[(4-phenylpiperazin-1-yl)methyl]-1H-quinoline-3-carboxylate (CID 135126779) is methyl 6-methyl-4-oxo-7-[(4-phenylpiperazin-1-yl)methyl]-1H-quinoline-3-carboxylate.
What is the SMILES notation for methyl 6-methyl-4-oxo-7-[(4-phenylpiperazin-1-yl)methyl]-1H-quinoline-3-carboxylate?
The canonical SMILES for methyl 6-methyl-4-oxo-7-[(4-phenylpiperazin-1-yl)methyl]-1H-quinoline-3-carboxylate is COC(=O)c1c[nH]c2cc(CN3CCN(c4ccccc4)CC3)c(C)cc2c1=O.
What is the InChIKey of methyl 6-methyl-4-oxo-7-[(4-phenylpiperazin-1-yl)methyl]-1H-quinoline-3-carboxylate?
The InChIKey is GMCJARFVOZIDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-12-19-21(24-14-20(22(19)27)23(28)29-2)13-17(16)15-25-8-10-26(11-9-25)18-6-4-3-5-7-18/h3-7,12-14H,8-11,15H2,1-2H3,(H,24,27).
What are the key properties of methyl 6-methyl-4-oxo-7-[(4-phenylpiperazin-1-yl)methyl]-1H-quinoline-3-carboxylate?
methyl 6-methyl-4-oxo-7-[(4-phenylpiperazin-1-yl)methyl]-1H-quinoline-3-carboxylate has a molecular weight of 391.47 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-4-oxo-7-[(4-phenylpiperazin-1-yl)methyl]-1H-quinoline-3-carboxylate is sourced from PubChem (CID 135126779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).