N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-6-hydroxy-N-methyl-2-[6-methyl-5-[2-(methylamino)ethylamino]-2-pyridinyl]quinoline-4-carboxamide

C28H35N7O2 — CID 167060344

About N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-6-hydroxy-N-methyl-2-[6-methyl-5-[2-(methylamino)ethylamino]-2-pyridinyl]quinoline-4-carboxamide

N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-6-hydroxy-N-methyl-2-[6-methyl-5-[2-(methylamino)ethylamino]-2-pyridinyl]quinoline-4-carboxamide (PubChem CID 167060344) has the molecular formula C28H35N7O2 and a molecular weight of 501.64 g/mol. Its IUPAC name is N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-6-hydroxy-N-methyl-2-[6-methyl-5-[2-(methylamino)ethylamino]-2-pyridinyl]quinoline-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-6-hydroxy-N-methyl-2-[6-methyl-5-[2-(methylamino)ethylamino]-2-pyridinyl]quinoline-4-carboxamide
• PubChem CID: 167060344
• Molecular Formula: C28H35N7O2
• Molecular Weight: 501.64 g/mol
• Exact Mass: 501.29
• IUPAC Name: N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-6-hydroxy-N-methyl-2-[6-methyl-5-[2-(methylamino)ethylamino]-2-pyridinyl]quinoline-4-carboxamide
• SMILES: CCn1ncc(C(C)N(C)C(=O)c2cc(-c3ccc(NCCNC)c(C)n3)nc3ccc(O)cc23)c1C
• InChI: InChI=1S/C28H35N7O2/c1-7-35-19(4)23(16-31-35)18(3)34(6)28(37)22-15-27(33-25-9-8-20(36)14-21(22)25)26-11-10-24(17(2)32-26)30-13-12-29-5/h8-11,14-16,18,29-30,36H,7,12-13H2,1-6H3
• InChIKey: DBUVSOUDXZZEMB-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 108.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.64
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-6-hydroxy-N-methyl-2-[6-methyl-5-[2-(methylamino)ethylamino]-2-pyridinyl]quinoline-4-carboxamide?

The IUPAC name of N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-6-hydroxy-N-methyl-2-[6-methyl-5-[2-(methylamino)ethylamino]-2-pyridinyl]quinoline-4-carboxamide (CID 167060344) is N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-6-hydroxy-N-methyl-2-[6-methyl-5-[2-(methylamino)ethylamino]-2-pyridinyl]quinoline-4-carboxamide.

What is the SMILES notation for N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-6-hydroxy-N-methyl-2-[6-methyl-5-[2-(methylamino)ethylamino]-2-pyridinyl]quinoline-4-carboxamide?

The canonical SMILES for N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-6-hydroxy-N-methyl-2-[6-methyl-5-[2-(methylamino)ethylamino]-2-pyridinyl]quinoline-4-carboxamide is CCn1ncc(C(C)N(C)C(=O)c2cc(-c3ccc(NCCNC)c(C)n3)nc3ccc(O)cc23)c1C.

What is the InChIKey of N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-6-hydroxy-N-methyl-2-[6-methyl-5-[2-(methylamino)ethylamino]-2-pyridinyl]quinoline-4-carboxamide?

The InChIKey is DBUVSOUDXZZEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O2/c1-7-35-19(4)23(16-31-35)18(3)34(6)28(37)22-15-27(33-25-9-8-20(36)14-21(22)25)26-11-10-24(17(2)32-26)30-13-12-29-5/h8-11,14-16,18,29-30,36H,7,12-13H2,1-6H3.

What are the key properties of N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-6-hydroxy-N-methyl-2-[6-methyl-5-[2-(methylamino)ethylamino]-2-pyridinyl]quinoline-4-carboxamide?

N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-6-hydroxy-N-methyl-2-[6-methyl-5-[2-(methylamino)ethylamino]-2-pyridinyl]quinoline-4-carboxamide has a molecular weight of 501.64 g/mol, XLogP of 4.30, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-6-hydroxy-N-methyl-2-[6-methyl-5-[2-(methylamino)ethylamino]-2-pyridinyl]quinoline-4-carboxamide is sourced from PubChem (CID 167060344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).