N-tert-butyl-2-[3-[7-fluoro-6-methoxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide

C₂₄H₂₅FN₆O₃ — CID 151257628

About N-tert-butyl-2-[3-[7-fluoro-6-methoxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide

N-tert-butyl-2-[3-[7-fluoro-6-methoxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide (PubChem CID 151257628) has the molecular formula C₂₄H₂₅FN₆O₃ and a molecular weight of 464.50 g/mol. Its IUPAC name is N-tert-butyl-2-[3-[7-fluoro-6-methoxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-[3-[7-fluoro-6-methoxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide
• PubChem CID: 151257628
• Molecular Formula: C₂₄H₂₅FN₆O₃
• Molecular Weight: 464.50 g/mol
• Exact Mass: 464.20
• IUPAC Name: N-tert-butyl-2-[3-[7-fluoro-6-methoxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide
• SMILES: COc1cc2c(Nc3cn[nH]c3)nc(-c3cccc(OCC(=O)NC(C)(C)C)c3)nc2cc1F
• InChI: InChI=1S/C24H25FN6O3/c1-24(2,3)31-21(32)13-34-16-7-5-6-14(8-16)22-29-19-10-18(25)20(33-4)9-17(19)23(30-22)28-15-11-26-27-12-15/h5-12H,13H2,1-4H3,(H,26,27)(H,31,32)(H,28,29,30)
• InChIKey: NTQYXYKQXALSOT-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 114.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.50
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-[7-fluoro-6-methoxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide?

The IUPAC name of N-tert-butyl-2-[3-[7-fluoro-6-methoxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide (CID 151257628) is N-tert-butyl-2-[3-[7-fluoro-6-methoxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide.

What is the SMILES notation for N-tert-butyl-2-[3-[7-fluoro-6-methoxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide?

The canonical SMILES for N-tert-butyl-2-[3-[7-fluoro-6-methoxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide is COc1cc2c(Nc3cn[nH]c3)nc(-c3cccc(OCC(=O)NC(C)(C)C)c3)nc2cc1F.

What is the InChIKey of N-tert-butyl-2-[3-[7-fluoro-6-methoxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide?

The InChIKey is NTQYXYKQXALSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O3/c1-24(2,3)31-21(32)13-34-16-7-5-6-14(8-16)22-29-19-10-18(25)20(33-4)9-17(19)23(30-22)28-15-11-26-27-12-15/h5-12H,13H2,1-4H3,(H,26,27)(H,31,32)(H,28,29,30).

What are the key properties of N-tert-butyl-2-[3-[7-fluoro-6-methoxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide?

N-tert-butyl-2-[3-[7-fluoro-6-methoxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide has a molecular weight of 464.50 g/mol, XLogP of 4.20, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-[3-[7-fluoro-6-methoxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide is sourced from PubChem (CID 151257628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151257628 — identifiers, structure, computed properties (public domain)

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