6-[2-(dimethylamino)ethoxy]-2-(3-fluoro-4-phenylphenyl)-N-(1H-indazol-5-yl)-7-methoxyquinazolin-4-amine

C32H29FN6O2 — CID 25013868

About 6-[2-(dimethylamino)ethoxy]-2-(3-fluoro-4-phenylphenyl)-N-(1H-indazol-5-yl)-7-methoxyquinazolin-4-amine

6-[2-(dimethylamino)ethoxy]-2-(3-fluoro-4-phenylphenyl)-N-(1H-indazol-5-yl)-7-methoxyquinazolin-4-amine (PubChem CID 25013868) has the molecular formula C32H29FN6O2 and a molecular weight of 548.62 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethoxy]-2-(3-fluoro-4-phenylphenyl)-N-(1H-indazol-5-yl)-7-methoxyquinazolin-4-amine.

Molecular Properties

• Compound Name: 6-[2-(dimethylamino)ethoxy]-2-(3-fluoro-4-phenylphenyl)-N-(1H-indazol-5-yl)-7-methoxyquinazolin-4-amine
• PubChem CID: 25013868
• Molecular Formula: C32H29FN6O2
• Molecular Weight: 548.62 g/mol
• Exact Mass: 548.23
• IUPAC Name: 6-[2-(dimethylamino)ethoxy]-2-(3-fluoro-4-phenylphenyl)-N-(1H-indazol-5-yl)-7-methoxyquinazolin-4-amine
• SMILES: COc1cc2nc(-c3ccc(-c4ccccc4)c(F)c3)nc(Nc3ccc4[nH]ncc4c3)c2cc1OCCN(C)C
• InChI: InChI=1S/C32H29FN6O2/c1-39(2)13-14-41-30-17-25-28(18-29(30)40-3)36-31(21-9-11-24(26(33)16-21)20-7-5-4-6-8-20)37-32(25)35-23-10-12-27-22(15-23)19-34-38-27/h4-12,15-19H,13-14H2,1-3H3,(H,34,38)(H,35,36,37)
• InChIKey: KNEJLOXAQYEBAR-UHFFFAOYSA-N
• XLogP: 6.67
• TPSA: 88.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.62
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethoxy]-2-(3-fluoro-4-phenylphenyl)-N-(1H-indazol-5-yl)-7-methoxyquinazolin-4-amine?

The IUPAC name of 6-[2-(dimethylamino)ethoxy]-2-(3-fluoro-4-phenylphenyl)-N-(1H-indazol-5-yl)-7-methoxyquinazolin-4-amine (CID 25013868) is 6-[2-(dimethylamino)ethoxy]-2-(3-fluoro-4-phenylphenyl)-N-(1H-indazol-5-yl)-7-methoxyquinazolin-4-amine.

What is the SMILES notation for 6-[2-(dimethylamino)ethoxy]-2-(3-fluoro-4-phenylphenyl)-N-(1H-indazol-5-yl)-7-methoxyquinazolin-4-amine?

The canonical SMILES for 6-[2-(dimethylamino)ethoxy]-2-(3-fluoro-4-phenylphenyl)-N-(1H-indazol-5-yl)-7-methoxyquinazolin-4-amine is COc1cc2nc(-c3ccc(-c4ccccc4)c(F)c3)nc(Nc3ccc4[nH]ncc4c3)c2cc1OCCN(C)C.

What is the InChIKey of 6-[2-(dimethylamino)ethoxy]-2-(3-fluoro-4-phenylphenyl)-N-(1H-indazol-5-yl)-7-methoxyquinazolin-4-amine?

The InChIKey is KNEJLOXAQYEBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29FN6O2/c1-39(2)13-14-41-30-17-25-28(18-29(30)40-3)36-31(21-9-11-24(26(33)16-21)20-7-5-4-6-8-20)37-32(25)35-23-10-12-27-22(15-23)19-34-38-27/h4-12,15-19H,13-14H2,1-3H3,(H,34,38)(H,35,36,37).

What are the key properties of 6-[2-(dimethylamino)ethoxy]-2-(3-fluoro-4-phenylphenyl)-N-(1H-indazol-5-yl)-7-methoxyquinazolin-4-amine?

6-[2-(dimethylamino)ethoxy]-2-(3-fluoro-4-phenylphenyl)-N-(1H-indazol-5-yl)-7-methoxyquinazolin-4-amine has a molecular weight of 548.62 g/mol, XLogP of 6.67, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(dimethylamino)ethoxy]-2-(3-fluoro-4-phenylphenyl)-N-(1H-indazol-5-yl)-7-methoxyquinazolin-4-amine is sourced from PubChem (CID 25013868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).