6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[5-[2-(methylamino)ethoxy]-2-pyridinyl]quinazoline-4-carboxamide

C25H28ClN7O2 — CID 164767059

About 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[5-[2-(methylamino)ethoxy]-2-pyridinyl]quinazoline-4-carboxamide

6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[5-[2-(methylamino)ethoxy]-2-pyridinyl]quinazoline-4-carboxamide (PubChem CID 164767059) has the molecular formula C25H28ClN7O2 and a molecular weight of 494.00 g/mol. Its IUPAC name is 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[5-[2-(methylamino)ethoxy]-2-pyridinyl]quinazoline-4-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[5-[2-(methylamino)ethoxy]-2-pyridinyl]quinazoline-4-carboxamide
• PubChem CID: 164767059
• Molecular Formula: C25H28ClN7O2
• Molecular Weight: 494.00 g/mol
• Exact Mass: 493.20
• IUPAC Name: 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[5-[2-(methylamino)ethoxy]-2-pyridinyl]quinazoline-4-carboxamide
• SMILES: CCn1ncc(CN(C)C(=O)c2nc(-c3ccc(OCCNC)cn3)nc3ccc(Cl)cc23)c1C
• InChI: InChI=1S/C25H28ClN7O2/c1-5-33-16(2)17(13-29-33)15-32(4)25(34)23-20-12-18(26)6-8-21(20)30-24(31-23)22-9-7-19(14-28-22)35-11-10-27-3/h6-9,12-14,27H,5,10-11,15H2,1-4H3
• InChIKey: LWZYMYGRUUNMCS-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 98.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.00
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
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 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[5-[2-(methylamino)ethoxy]-2-pyridinyl]quinazoline-4-carboxamide?

The IUPAC name of 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[5-[2-(methylamino)ethoxy]-2-pyridinyl]quinazoline-4-carboxamide (CID 164767059) is 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[5-[2-(methylamino)ethoxy]-2-pyridinyl]quinazoline-4-carboxamide.

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

The canonical SMILES for 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[5-[2-(methylamino)ethoxy]-2-pyridinyl]quinazoline-4-carboxamide is CCn1ncc(CN(C)C(=O)c2nc(-c3ccc(OCCNC)cn3)nc3ccc(Cl)cc23)c1C.

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

The InChIKey is LWZYMYGRUUNMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN7O2/c1-5-33-16(2)17(13-29-33)15-32(4)25(34)23-20-12-18(26)6-8-21(20)30-24(31-23)22-9-7-19(14-28-22)35-11-10-27-3/h6-9,12-14,27H,5,10-11,15H2,1-4H3.

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

6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[5-[2-(methylamino)ethoxy]-2-pyridinyl]quinazoline-4-carboxamide has a molecular weight of 494.00 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[5-[2-(methylamino)ethoxy]-2-pyridinyl]quinazoline-4-carboxamide is sourced from PubChem (CID 164767059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).