3-[[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine

C26H25ClFN5O — CID 171527373

About 3-[[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine

3-[[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine (PubChem CID 171527373) has the molecular formula C26H25ClFN5O and a molecular weight of 477.97 g/mol. Its IUPAC name is 3-[[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

• Compound Name: 3-[[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
• PubChem CID: 171527373
• Molecular Formula: C26H25ClFN5O
• Molecular Weight: 477.97 g/mol
• Exact Mass: 477.17
• IUPAC Name: 3-[[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
• SMILES: CN(C)CCCOc1ccc(-c2ccc3ncnc(N4CCc5cc(F)c(Cl)cc54)c3c2)cn1
• InChI: InChI=1S/C26H25ClFN5O/c1-32(2)9-3-11-34-25-7-5-19(15-29-25)17-4-6-23-20(12-17)26(31-16-30-23)33-10-8-18-13-22(28)21(27)14-24(18)33/h4-7,12-16H,3,8-11H2,1-2H3
• InChIKey: NREMRTAQMKQHFB-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 54.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.97
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?

The IUPAC name of 3-[[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine (CID 171527373) is 3-[[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine.

What is the SMILES notation for 3-[[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?

The canonical SMILES for 3-[[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine is CN(C)CCCOc1ccc(-c2ccc3ncnc(N4CCc5cc(F)c(Cl)cc54)c3c2)cn1.

What is the InChIKey of 3-[[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?

The InChIKey is NREMRTAQMKQHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClFN5O/c1-32(2)9-3-11-34-25-7-5-19(15-29-25)17-4-6-23-20(12-17)26(31-16-30-23)33-10-8-18-13-22(28)21(27)14-24(18)33/h4-7,12-16H,3,8-11H2,1-2H3.

What are the key properties of 3-[[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?

3-[[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine has a molecular weight of 477.97 g/mol, XLogP of 5.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 171527373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).