N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)oxolane-2-carboxamide

C22H28N2O4 — CID 650124

About N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)oxolane-2-carboxamide

N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)oxolane-2-carboxamide (PubChem CID 650124) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)oxolane-2-carboxamide.

Molecular Properties

• Compound Name: N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)oxolane-2-carboxamide
• PubChem CID: 650124
• Molecular Formula: C22H28N2O4
• Molecular Weight: 384.48 g/mol
• Exact Mass: 384.20
• IUPAC Name: N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)oxolane-2-carboxamide
• SMILES: Cc1cc(C)c2[nH]c(=O)c(CN(CC3CCCO3)C(=O)C3CCCO3)cc2c1
• InChI: InChI=1S/C22H28N2O4/c1-14-9-15(2)20-16(10-14)11-17(21(25)23-20)12-24(13-18-5-3-7-27-18)22(26)19-6-4-8-28-19/h9-11,18-19H,3-8,12-13H2,1-2H3,(H,23,25)
• InChIKey: IXOZFNJFOLNEGL-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 71.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.48
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)oxolane-2-carboxamide?

The IUPAC name of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)oxolane-2-carboxamide (CID 650124) is N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)oxolane-2-carboxamide.

What is the SMILES notation for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)oxolane-2-carboxamide?

The canonical SMILES for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)oxolane-2-carboxamide is Cc1cc(C)c2[nH]c(=O)c(CN(CC3CCCO3)C(=O)C3CCCO3)cc2c1.

What is the InChIKey of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)oxolane-2-carboxamide?

The InChIKey is IXOZFNJFOLNEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-14-9-15(2)20-16(10-14)11-17(21(25)23-20)12-24(13-18-5-3-7-27-18)22(26)19-6-4-8-28-19/h9-11,18-19H,3-8,12-13H2,1-2H3,(H,23,25).

What are the key properties of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)oxolane-2-carboxamide?

N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)oxolane-2-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)oxolane-2-carboxamide is sourced from PubChem (CID 650124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).