6-methoxy-4-(methylamino)-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydroquinoline-2-carboxamide

C27H36N6O3 — CID 90920930

About 6-methoxy-4-(methylamino)-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydroquinoline-2-carboxamide

6-methoxy-4-(methylamino)-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydroquinoline-2-carboxamide (PubChem CID 90920930) has the molecular formula C27H36N6O3 and a molecular weight of 492.62 g/mol. Its IUPAC name is 6-methoxy-4-(methylamino)-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydroquinoline-2-carboxamide.

Molecular Properties

• Compound Name: 6-methoxy-4-(methylamino)-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydroquinoline-2-carboxamide
• PubChem CID: 90920930
• Molecular Formula: C27H36N6O3
• Molecular Weight: 492.62 g/mol
• Exact Mass: 492.28
• IUPAC Name: 6-methoxy-4-(methylamino)-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydroquinoline-2-carboxamide
• SMILES: CNC1CC(C(=O)Nc2ccc(N3CCOCC3)cc2)=Nc2c1cc(OC)cc2N1CCN(C)CC1
• InChI: InChI=1S/C27H36N6O3/c1-28-23-18-24(27(34)29-19-4-6-20(7-5-19)32-12-14-36-15-13-32)30-26-22(23)16-21(35-3)17-25(26)33-10-8-31(2)9-11-33/h4-7,16-17,23,28H,8-15,18H2,1-3H3,(H,29,34)
• InChIKey: CVWXAOQDZOAYHQ-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 81.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.62
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-(methylamino)-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydroquinoline-2-carboxamide?

The IUPAC name of 6-methoxy-4-(methylamino)-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydroquinoline-2-carboxamide (CID 90920930) is 6-methoxy-4-(methylamino)-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydroquinoline-2-carboxamide.

What is the SMILES notation for 6-methoxy-4-(methylamino)-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydroquinoline-2-carboxamide?

The canonical SMILES for 6-methoxy-4-(methylamino)-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydroquinoline-2-carboxamide is CNC1CC(C(=O)Nc2ccc(N3CCOCC3)cc2)=Nc2c1cc(OC)cc2N1CCN(C)CC1.

What is the InChIKey of 6-methoxy-4-(methylamino)-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydroquinoline-2-carboxamide?

The InChIKey is CVWXAOQDZOAYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O3/c1-28-23-18-24(27(34)29-19-4-6-20(7-5-19)32-12-14-36-15-13-32)30-26-22(23)16-21(35-3)17-25(26)33-10-8-31(2)9-11-33/h4-7,16-17,23,28H,8-15,18H2,1-3H3,(H,29,34).

What are the key properties of 6-methoxy-4-(methylamino)-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydroquinoline-2-carboxamide?

6-methoxy-4-(methylamino)-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydroquinoline-2-carboxamide has a molecular weight of 492.62 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methoxy-4-(methylamino)-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydroquinoline-2-carboxamide is sourced from PubChem (CID 90920930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).