6-[1-[1-[4-(2-methylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethenoxy]-2-(7-methyl-1H-indazol-5-yl)ethyl]-1H-pyridin-2-one

C31H34N6O2 — CID 143060974

About 6-[1-[1-[4-(2-methylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethenoxy]-2-(7-methyl-1H-indazol-5-yl)ethyl]-1H-pyridin-2-one

6-[1-[1-[4-(2-methylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethenoxy]-2-(7-methyl-1H-indazol-5-yl)ethyl]-1H-pyridin-2-one (PubChem CID 143060974) has the molecular formula C31H34N6O2 and a molecular weight of 522.65 g/mol. Its IUPAC name is 6-[1-[1-[4-(2-methylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethenoxy]-2-(7-methyl-1H-indazol-5-yl)ethyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 6-[1-[1-[4-(2-methylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethenoxy]-2-(7-methyl-1H-indazol-5-yl)ethyl]-1H-pyridin-2-one
• PubChem CID: 143060974
• Molecular Formula: C31H34N6O2
• Molecular Weight: 522.65 g/mol
• Exact Mass: 522.27
• IUPAC Name: 6-[1-[1-[4-(2-methylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethenoxy]-2-(7-methyl-1H-indazol-5-yl)ethyl]-1H-pyridin-2-one
• SMILES: C=C(OC(Cc1cc(C)c2[nH]ncc2c1)c1cccc(=O)[nH]1)N1CCC(N2Cc3ccccc3NC2=C)CC1
• InChI: InChI=1S/C31H34N6O2/c1-20-15-23(16-25-18-32-35-31(20)25)17-29(28-9-6-10-30(38)34-28)39-22(3)36-13-11-26(12-14-36)37-19-24-7-4-5-8-27(24)33-21(37)2/h4-10,15-16,18,26,29,33H,2-3,11-14,17,19H2,1H3,(H,32,35)(H,34,38)
• InChIKey: MNYIWPZSLXODDD-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 89.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.65
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[1-[1-[4-(2-methylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethenoxy]-2-(7-methyl-1H-indazol-5-yl)ethyl]-1H-pyridin-2-one?

The IUPAC name of 6-[1-[1-[4-(2-methylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethenoxy]-2-(7-methyl-1H-indazol-5-yl)ethyl]-1H-pyridin-2-one (CID 143060974) is 6-[1-[1-[4-(2-methylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethenoxy]-2-(7-methyl-1H-indazol-5-yl)ethyl]-1H-pyridin-2-one.

What is the SMILES notation for 6-[1-[1-[4-(2-methylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethenoxy]-2-(7-methyl-1H-indazol-5-yl)ethyl]-1H-pyridin-2-one?

The canonical SMILES for 6-[1-[1-[4-(2-methylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethenoxy]-2-(7-methyl-1H-indazol-5-yl)ethyl]-1H-pyridin-2-one is C=C(OC(Cc1cc(C)c2[nH]ncc2c1)c1cccc(=O)[nH]1)N1CCC(N2Cc3ccccc3NC2=C)CC1.

What is the InChIKey of 6-[1-[1-[4-(2-methylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethenoxy]-2-(7-methyl-1H-indazol-5-yl)ethyl]-1H-pyridin-2-one?

The InChIKey is MNYIWPZSLXODDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N6O2/c1-20-15-23(16-25-18-32-35-31(20)25)17-29(28-9-6-10-30(38)34-28)39-22(3)36-13-11-26(12-14-36)37-19-24-7-4-5-8-27(24)33-21(37)2/h4-10,15-16,18,26,29,33H,2-3,11-14,17,19H2,1H3,(H,32,35)(H,34,38).

What are the key properties of 6-[1-[1-[4-(2-methylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethenoxy]-2-(7-methyl-1H-indazol-5-yl)ethyl]-1H-pyridin-2-one?

6-[1-[1-[4-(2-methylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethenoxy]-2-(7-methyl-1H-indazol-5-yl)ethyl]-1H-pyridin-2-one has a molecular weight of 522.65 g/mol, XLogP of 5.19, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-[1-[4-(2-methylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethenoxy]-2-(7-methyl-1H-indazol-5-yl)ethyl]-1H-pyridin-2-one is sourced from PubChem (CID 143060974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).