N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-7-(methoxymethyl)-N-methyl-2-[6-methyl-5-[2-(methylamino)ethylamino]-2-pyridinyl]quinoline-4-carboxamide

C29H37N7O2 — CID 164767070

About N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-7-(methoxymethyl)-N-methyl-2-[6-methyl-5-[2-(methylamino)ethylamino]-2-pyridinyl]quinoline-4-carboxamide

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-7-(methoxymethyl)-N-methyl-2-[6-methyl-5-[2-(methylamino)ethylamino]-2-pyridinyl]quinoline-4-carboxamide (PubChem CID 164767070) has the molecular formula C29H37N7O2 and a molecular weight of 515.66 g/mol. Its IUPAC name is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-7-(methoxymethyl)-N-methyl-2-[6-methyl-5-[2-(methylamino)ethylamino]-2-pyridinyl]quinoline-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-7-(methoxymethyl)-N-methyl-2-[6-methyl-5-[2-(methylamino)ethylamino]-2-pyridinyl]quinoline-4-carboxamide
• PubChem CID: 164767070
• Molecular Formula: C29H37N7O2
• Molecular Weight: 515.66 g/mol
• Exact Mass: 515.30
• IUPAC Name: N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-7-(methoxymethyl)-N-methyl-2-[6-methyl-5-[2-(methylamino)ethylamino]-2-pyridinyl]quinoline-4-carboxamide
• SMILES: CCn1ncc(CN(C)C(=O)c2cc(-c3ccc(NCCNC)c(C)n3)nc3cc(COC)ccc23)c1C
• InChI: InChI=1S/C29H37N7O2/c1-7-36-20(3)22(16-32-36)17-35(5)29(37)24-15-28(34-27-14-21(18-38-6)8-9-23(24)27)26-11-10-25(19(2)33-26)31-13-12-30-4/h8-11,14-16,30-31H,7,12-13,17-18H2,1-6H3
• InChIKey: GTRUANOIXMGWIR-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 97.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.66
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	2
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-ethyl-5-methylpyrazol-4-yl)methyl]-7-(methoxymethyl)-N-methyl-2-[6-methyl-5-[2-(methylamino)ethylamino]-2-pyridinyl]quinoline-4-carboxamide?

The IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-7-(methoxymethyl)-N-methyl-2-[6-methyl-5-[2-(methylamino)ethylamino]-2-pyridinyl]quinoline-4-carboxamide (CID 164767070) is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-7-(methoxymethyl)-N-methyl-2-[6-methyl-5-[2-(methylamino)ethylamino]-2-pyridinyl]quinoline-4-carboxamide.

What is the SMILES notation for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-7-(methoxymethyl)-N-methyl-2-[6-methyl-5-[2-(methylamino)ethylamino]-2-pyridinyl]quinoline-4-carboxamide?

The canonical SMILES for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-7-(methoxymethyl)-N-methyl-2-[6-methyl-5-[2-(methylamino)ethylamino]-2-pyridinyl]quinoline-4-carboxamide is CCn1ncc(CN(C)C(=O)c2cc(-c3ccc(NCCNC)c(C)n3)nc3cc(COC)ccc23)c1C.

What is the InChIKey of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-7-(methoxymethyl)-N-methyl-2-[6-methyl-5-[2-(methylamino)ethylamino]-2-pyridinyl]quinoline-4-carboxamide?

The InChIKey is GTRUANOIXMGWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N7O2/c1-7-36-20(3)22(16-32-36)17-35(5)29(37)24-15-28(34-27-14-21(18-38-6)8-9-23(24)27)26-11-10-25(19(2)33-26)31-13-12-30-4/h8-11,14-16,30-31H,7,12-13,17-18H2,1-6H3.

What are the key properties of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-7-(methoxymethyl)-N-methyl-2-[6-methyl-5-[2-(methylamino)ethylamino]-2-pyridinyl]quinoline-4-carboxamide?

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-7-(methoxymethyl)-N-methyl-2-[6-methyl-5-[2-(methylamino)ethylamino]-2-pyridinyl]quinoline-4-carboxamide has a molecular weight of 515.66 g/mol, XLogP of 4.18, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-7-(methoxymethyl)-N-methyl-2-[6-methyl-5-[2-(methylamino)ethylamino]-2-pyridinyl]quinoline-4-carboxamide is sourced from PubChem (CID 164767070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).