7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(4-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)quinolin-4-amine

C28H26N4O3 — CID 146049918

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(4-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)quinolin-4-amine

7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(4-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)quinolin-4-amine (PubChem CID 146049918) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(4-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)quinolin-4-amine.

Molecular Properties

• Compound Name: 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(4-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)quinolin-4-amine
• PubChem CID: 146049918
• Molecular Formula: C28H26N4O3
• Molecular Weight: 466.54 g/mol
• Exact Mass: 466.20
• IUPAC Name: 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(4-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)quinolin-4-amine
• SMILES: COc1ccc(COc2cc3c(NCc4ccccn4)ccnc3cc2-c2c(C)noc2C)cc1
• InChI: InChI=1S/C28H26N4O3/c1-18-28(19(2)35-32-18)24-14-26-23(15-27(24)34-17-20-7-9-22(33-3)10-8-20)25(11-13-30-26)31-16-21-6-4-5-12-29-21/h4-15H,16-17H2,1-3H3,(H,30,31)
• InChIKey: NNBBBDGFSVYGCS-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 82.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.54
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(4-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)quinolin-4-amine?

The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(4-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)quinolin-4-amine (CID 146049918) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(4-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)quinolin-4-amine.

What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(4-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)quinolin-4-amine?

The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(4-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)quinolin-4-amine is COc1ccc(COc2cc3c(NCc4ccccn4)ccnc3cc2-c2c(C)noc2C)cc1.

What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(4-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)quinolin-4-amine?

The InChIKey is NNBBBDGFSVYGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3/c1-18-28(19(2)35-32-18)24-14-26-23(15-27(24)34-17-20-7-9-22(33-3)10-8-20)25(11-13-30-26)31-16-21-6-4-5-12-29-21/h4-15H,16-17H2,1-3H3,(H,30,31).

What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(4-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)quinolin-4-amine?

7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(4-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)quinolin-4-amine has a molecular weight of 466.54 g/mol, XLogP of 6.10, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(4-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)quinolin-4-amine is sourced from PubChem (CID 146049918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).