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

C24H27N3O5 — CID 134603732

IUPACmethyl 6-methoxy-7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1H-quinoline-3-carboxylate
SMILESCOC(=O)c1c[nH]c2cc(CN3CCN(c4ccc(OC)cc4)CC3)c(OC)cc2c1=O
InChIInChI=1S/C24H27N3O5/c1-30-18-6-4-17(5-7-18)27-10-8-26(9-11-27)15-16-12-21-19(13-22(16)31-2)23(28)20(14-25-21)24(29)32-3/h4-7,12-14H,8-11,15H2,1-3H3,(H,25,28)
InChIKeyFGDGEYJIANQLFK-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.65
Rot. Bonds6

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

methyl 6-methoxy-7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 134603732) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is methyl 6-methoxy-7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1H-quinoline-3-carboxylate
PubChem CID134603732
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Namemethyl 6-methoxy-7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1H-quinoline-3-carboxylate
SMILESCOC(=O)c1c[nH]c2cc(CN3CCN(c4ccc(OC)cc4)CC3)c(OC)cc2c1=O
InChIInChI=1S/C24H27N3O5/c1-30-18-6-4-17(5-7-18)27-10-8-26(9-11-27)15-16-12-21-19(13-22(16)31-2)23(28)20(14-25-21)24(29)32-3/h4-7,12-14H,8-11,15H2,1-3H3,(H,25,28)
InChIKeyFGDGEYJIANQLFK-UHFFFAOYSA-N
XLogP2.65
TPSA84.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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

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Related Compounds

Ethyl 6-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate
CID 228284
methyl 7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1H-quinoline-3-carboxylate
CID 135126777
methyl 7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-6-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 135126780
4-Hydroxy-6-methoxyquinoline-3-carboxylic acid
CID 255289
Ethyl 4-hydroxy-6-(trifluoromethoxy)-3-quinolinecarboxylate
CID 723202
2-(3-Dimethylamino-phenyl)-6-methoxy-1H-quinolin-4-one
CID 379511
Methyl 6-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate
CID 16681664
methyl 6-ethoxy-4-oxo-1H-quinoline-3-carboxylate
CID 102614575
methyl 7-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxo-1H-quinoline-3-carboxylate
CID 134603744
methyl 6-(4-fluorophenoxy)-4-oxo-1H-quinoline-3-carboxylate
CID 134603747
methyl 7-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-6-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 134603758
methyl 4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate
CID 134603765

Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of methyl 6-methoxy-7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1H-quinoline-3-carboxylate (CID 134603732) is methyl 6-methoxy-7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for methyl 6-methoxy-7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for methyl 6-methoxy-7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1H-quinoline-3-carboxylate is COC(=O)c1c[nH]c2cc(CN3CCN(c4ccc(OC)cc4)CC3)c(OC)cc2c1=O.
What is the InChIKey of methyl 6-methoxy-7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is FGDGEYJIANQLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-30-18-6-4-17(5-7-18)27-10-8-26(9-11-27)15-16-12-21-19(13-22(16)31-2)23(28)20(14-25-21)24(29)32-3/h4-7,12-14H,8-11,15H2,1-3H3,(H,25,28).
What are the key properties of methyl 6-methoxy-7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1H-quinoline-3-carboxylate?
methyl 6-methoxy-7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 437.50 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 134603732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).