N-[(2R)-butan-2-yl]-2-[3-[6-methoxy-4-[4-(1H-pyrazol-4-yl)anilino]quinazolin-2-yl]phenoxy]acetamide

C30H30N6O3 — CID 142464785

About N-[(2R)-butan-2-yl]-2-[3-[6-methoxy-4-[4-(1H-pyrazol-4-yl)anilino]quinazolin-2-yl]phenoxy]acetamide

N-[(2R)-butan-2-yl]-2-[3-[6-methoxy-4-[4-(1H-pyrazol-4-yl)anilino]quinazolin-2-yl]phenoxy]acetamide (PubChem CID 142464785) has the molecular formula C30H30N6O3 and a molecular weight of 522.61 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-[3-[6-methoxy-4-[4-(1H-pyrazol-4-yl)anilino]quinazolin-2-yl]phenoxy]acetamide.

Molecular Properties

• Compound Name: N-[(2R)-butan-2-yl]-2-[3-[6-methoxy-4-[4-(1H-pyrazol-4-yl)anilino]quinazolin-2-yl]phenoxy]acetamide
• PubChem CID: 142464785
• Molecular Formula: C30H30N6O3
• Molecular Weight: 522.61 g/mol
• Exact Mass: 522.24
• IUPAC Name: N-[(2R)-butan-2-yl]-2-[3-[6-methoxy-4-[4-(1H-pyrazol-4-yl)anilino]quinazolin-2-yl]phenoxy]acetamide
• SMILES: CC[C@@H](C)NC(=O)COc1cccc(-c2nc(Nc3ccc(-c4cn[nH]c4)cc3)c3cc(OC)ccc3n2)c1
• InChI: InChI=1S/C30H30N6O3/c1-4-19(2)33-28(37)18-39-25-7-5-6-21(14-25)29-35-27-13-12-24(38-3)15-26(27)30(36-29)34-23-10-8-20(9-11-23)22-16-31-32-17-22/h5-17,19H,4,18H2,1-3H3,(H,31,32)(H,33,37)(H,34,35,36)/t19-/m1/s1
• InChIKey: GPZZJGCAWLXQAR-LJQANCHMSA-N
• XLogP: 5.73
• TPSA: 114.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.61
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-[3-[6-methoxy-4-[4-(1H-pyrazol-4-yl)anilino]quinazolin-2-yl]phenoxy]acetamide?

The IUPAC name of N-[(2R)-butan-2-yl]-2-[3-[6-methoxy-4-[4-(1H-pyrazol-4-yl)anilino]quinazolin-2-yl]phenoxy]acetamide (CID 142464785) is N-[(2R)-butan-2-yl]-2-[3-[6-methoxy-4-[4-(1H-pyrazol-4-yl)anilino]quinazolin-2-yl]phenoxy]acetamide.

What is the SMILES notation for N-[(2R)-butan-2-yl]-2-[3-[6-methoxy-4-[4-(1H-pyrazol-4-yl)anilino]quinazolin-2-yl]phenoxy]acetamide?

The canonical SMILES for N-[(2R)-butan-2-yl]-2-[3-[6-methoxy-4-[4-(1H-pyrazol-4-yl)anilino]quinazolin-2-yl]phenoxy]acetamide is CC[C@@H](C)NC(=O)COc1cccc(-c2nc(Nc3ccc(-c4cn[nH]c4)cc3)c3cc(OC)ccc3n2)c1.

What is the InChIKey of N-[(2R)-butan-2-yl]-2-[3-[6-methoxy-4-[4-(1H-pyrazol-4-yl)anilino]quinazolin-2-yl]phenoxy]acetamide?

The InChIKey is GPZZJGCAWLXQAR-LJQANCHMSA-N. The full InChI is InChI=1S/C30H30N6O3/c1-4-19(2)33-28(37)18-39-25-7-5-6-21(14-25)29-35-27-13-12-24(38-3)15-26(27)30(36-29)34-23-10-8-20(9-11-23)22-16-31-32-17-22/h5-17,19H,4,18H2,1-3H3,(H,31,32)(H,33,37)(H,34,35,36)/t19-/m1/s1.

What are the key properties of N-[(2R)-butan-2-yl]-2-[3-[6-methoxy-4-[4-(1H-pyrazol-4-yl)anilino]quinazolin-2-yl]phenoxy]acetamide?

N-[(2R)-butan-2-yl]-2-[3-[6-methoxy-4-[4-(1H-pyrazol-4-yl)anilino]quinazolin-2-yl]phenoxy]acetamide has a molecular weight of 522.61 g/mol, XLogP of 5.73, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-butan-2-yl]-2-[3-[6-methoxy-4-[4-(1H-pyrazol-4-yl)anilino]quinazolin-2-yl]phenoxy]acetamide is sourced from PubChem (CID 142464785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).