4-(dimethylamino)-6-methoxy-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)quinoline-2-carboxamide

C28H36N6O3 — CID 10164215

IUPAC4-(dimethylamino)-6-methoxy-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)quinoline-2-carboxamide
SMILESCOc1cc(N2CCN(C)CC2)c2nc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc(N(C)C)c2c1
InChIInChI=1S/C28H36N6O3/c1-31(2)25-19-24(28(35)29-20-5-7-21(8-6-20)33-13-15-37-16-14-33)30-27-23(25)17-22(36-4)18-26(27)34-11-9-32(3)10-12-34/h5-8,17-19H,9-16H2,1-4H3,(H,29,35)
InChIKeyTVVMFPCZWFJVGN-UHFFFAOYSA-N
MW504.64 g/mol
LogP3.15
Rot. Bonds6

About 4-(dimethylamino)-6-methoxy-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)quinoline-2-carboxamide

4-(dimethylamino)-6-methoxy-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)quinoline-2-carboxamide (PubChem CID 10164215) has the molecular formula C28H36N6O3 and a molecular weight of 504.64 g/mol. Its IUPAC name is 4-(dimethylamino)-6-methoxy-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-6-methoxy-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)quinoline-2-carboxamide
PubChem CID10164215
Molecular FormulaC28H36N6O3
Molecular Weight504.64 g/mol
Exact Mass504.28
IUPAC Name4-(dimethylamino)-6-methoxy-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)quinoline-2-carboxamide
SMILESCOc1cc(N2CCN(C)CC2)c2nc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc(N(C)C)c2c1
InChIInChI=1S/C28H36N6O3/c1-31(2)25-19-24(28(35)29-20-5-7-21(8-6-20)33-13-15-37-16-14-33)30-27-23(25)17-22(36-4)18-26(27)34-11-9-32(3)10-12-34/h5-8,17-19H,9-16H2,1-4H3,(H,29,35)
InChIKeyTVVMFPCZWFJVGN-UHFFFAOYSA-N
XLogP3.15
TPSA73.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.64
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-(dimethylamino)-6-methoxy-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)quinoline-2-carboxamide with MolForge

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Related Compounds

4-(dimethylamino)-6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)quinoline-2-carboxamide
CID 142238854
6-methoxy-8-(4-methyl-1,4-diazepan-1-yl)-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide
CID 23533312
6-methoxy-4-(methylamino)-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydroquinoline-2-carboxamide
CID 90920930
(2R)-6-methoxy-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 25067561
6-ethoxy-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide
CID 23533300
3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 795014
6-methoxy-8-(4-methylpiperazin-1-yl)-4-oxo-N-[4-(4-propanoylpiperazin-1-yl)phenyl]-1H-quinoline-2-carboxamide
CID 23533313
7-methoxy-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 50812399
4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperazine-2-carboxamide
CID 132780211
(2S)-4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperazine-2-carboxamide
CID 129455255
6-(cyclopropylamino)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109360922
1-(3-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 48740743

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-6-methoxy-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)quinoline-2-carboxamide?
The IUPAC name of 4-(dimethylamino)-6-methoxy-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)quinoline-2-carboxamide (CID 10164215) is 4-(dimethylamino)-6-methoxy-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)quinoline-2-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-6-methoxy-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)quinoline-2-carboxamide?
The canonical SMILES for 4-(dimethylamino)-6-methoxy-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)quinoline-2-carboxamide is COc1cc(N2CCN(C)CC2)c2nc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc(N(C)C)c2c1.
What is the InChIKey of 4-(dimethylamino)-6-methoxy-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)quinoline-2-carboxamide?
The InChIKey is TVVMFPCZWFJVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O3/c1-31(2)25-19-24(28(35)29-20-5-7-21(8-6-20)33-13-15-37-16-14-33)30-27-23(25)17-22(36-4)18-26(27)34-11-9-32(3)10-12-34/h5-8,17-19H,9-16H2,1-4H3,(H,29,35).
What are the key properties of 4-(dimethylamino)-6-methoxy-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)quinoline-2-carboxamide?
4-(dimethylamino)-6-methoxy-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)quinoline-2-carboxamide has a molecular weight of 504.64 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-6-methoxy-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)quinoline-2-carboxamide is sourced from PubChem (CID 10164215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).