N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide

C27H27N3O4 — CID 1458783

About N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide

N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 1458783) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide
• PubChem CID: 1458783
• Molecular Formula: C27H27N3O4
• Molecular Weight: 457.53 g/mol
• Exact Mass: 457.20
• IUPAC Name: N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide
• SMILES: COc1cc(OC)cc(C(=O)N(Cc2cccnc2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)c1
• InChI: InChI=1S/C27H27N3O4/c1-17-7-8-18(2)25-24(17)12-21(26(31)29-25)16-30(15-19-6-5-9-28-14-19)27(32)20-10-22(33-3)13-23(11-20)34-4/h5-14H,15-16H2,1-4H3,(H,29,31)
• InChIKey: DUWJBUZDDKWNSO-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 84.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.53
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide?

The IUPAC name of N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide (CID 1458783) is N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide.

What is the SMILES notation for N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide?

The canonical SMILES for N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide is COc1cc(OC)cc(C(=O)N(Cc2cccnc2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)c1.

What is the InChIKey of N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide?

The InChIKey is DUWJBUZDDKWNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4/c1-17-7-8-18(2)25-24(17)12-21(26(31)29-25)16-30(15-19-6-5-9-28-14-19)27(32)20-10-22(33-3)13-23(11-20)34-4/h5-14H,15-16H2,1-4H3,(H,29,31).

What are the key properties of N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide?

N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 457.53 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 1458783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).