N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

C19H27N3O4 — CID 39485294

About N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 39485294) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

• Compound Name: N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
• PubChem CID: 39485294
• Molecular Formula: C19H27N3O4
• Molecular Weight: 361.44 g/mol
• Exact Mass: 361.20
• IUPAC Name: N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
• SMILES: CC(C)CN1CCO[C@@H](CNC(=O)c2cc3c([nH]c2=O)CCCC3=O)C1
• InChI: InChI=1S/C19H27N3O4/c1-12(2)10-22-6-7-26-13(11-22)9-20-18(24)15-8-14-16(21-19(15)25)4-3-5-17(14)23/h8,12-13H,3-7,9-11H2,1-2H3,(H,20,24)(H,21,25)/t13-/m0/s1
• InChIKey: DEFOXJYISROFBK-ZDUSSCGKSA-N
• XLogP: 0.98
• TPSA: 91.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.44
LogP ≤ 5	0.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?

The IUPAC name of N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 39485294) is N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.

What is the SMILES notation for N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?

The canonical SMILES for N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is CC(C)CN1CCO[C@@H](CNC(=O)c2cc3c([nH]c2=O)CCCC3=O)C1.

What is the InChIKey of N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?

The InChIKey is DEFOXJYISROFBK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-12(2)10-22-6-7-26-13(11-22)9-20-18(24)15-8-14-16(21-19(15)25)4-3-5-17(14)23/h8,12-13H,3-7,9-11H2,1-2H3,(H,20,24)(H,21,25)/t13-/m0/s1.

What are the key properties of N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?

N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 39485294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).