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

C28H36N6O2 — CID 142238854

IUPAC4-(dimethylamino)-6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)quinoline-2-carboxamide
SMILESCc1cc(N2CCN(C)CC2)c2nc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc(N(C)C)c2c1
InChIInChI=1S/C28H36N6O2/c1-20-17-23-25(31(2)3)19-24(30-27(23)26(18-20)34-11-9-32(4)10-12-34)28(35)29-21-5-7-22(8-6-21)33-13-15-36-16-14-33/h5-8,17-19H,9-16H2,1-4H3,(H,29,35)
InChIKeyMUZBNJWQJOKCGZ-UHFFFAOYSA-N
MW488.64 g/mol
LogP3.45
Rot. Bonds5

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

4-(dimethylamino)-6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)quinoline-2-carboxamide (PubChem CID 142238854) has the molecular formula C28H36N6O2 and a molecular weight of 488.64 g/mol. Its IUPAC name is 4-(dimethylamino)-6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)quinoline-2-carboxamide
PubChem CID142238854
Molecular FormulaC28H36N6O2
Molecular Weight488.64 g/mol
Exact Mass488.29
IUPAC Name4-(dimethylamino)-6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)quinoline-2-carboxamide
SMILESCc1cc(N2CCN(C)CC2)c2nc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc(N(C)C)c2c1
InChIInChI=1S/C28H36N6O2/c1-20-17-23-25(31(2)3)19-24(30-27(23)26(18-20)34-11-9-32(4)10-12-34)28(35)29-21-5-7-22(8-6-21)33-13-15-36-16-14-33/h5-8,17-19H,9-16H2,1-4H3,(H,29,35)
InChIKeyMUZBNJWQJOKCGZ-UHFFFAOYSA-N
XLogP3.45
TPSA64.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.64
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-6-methoxy-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)quinoline-2-carboxamide
CID 10164215
6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 143452423
6-(cyclopropylamino)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109360922
2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365472
2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 110862459
4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109208359
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4818824
4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 142713208
N-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 18136368
7-methyl-N-(4-morpholin-4-ylphenyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040519
3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100524291
4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109208362

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)quinoline-2-carboxamide?
The IUPAC name of 4-(dimethylamino)-6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)quinoline-2-carboxamide (CID 142238854) is 4-(dimethylamino)-6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)quinoline-2-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)quinoline-2-carboxamide?
The canonical SMILES for 4-(dimethylamino)-6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)quinoline-2-carboxamide is Cc1cc(N2CCN(C)CC2)c2nc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc(N(C)C)c2c1.
What is the InChIKey of 4-(dimethylamino)-6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)quinoline-2-carboxamide?
The InChIKey is MUZBNJWQJOKCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O2/c1-20-17-23-25(31(2)3)19-24(30-27(23)26(18-20)34-11-9-32(4)10-12-34)28(35)29-21-5-7-22(8-6-21)33-13-15-36-16-14-33/h5-8,17-19H,9-16H2,1-4H3,(H,29,35).
What are the key properties of 4-(dimethylamino)-6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)quinoline-2-carboxamide?
4-(dimethylamino)-6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)quinoline-2-carboxamide has a molecular weight of 488.64 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)quinoline-2-carboxamide is sourced from PubChem (CID 142238854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).