1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide

C23H37N3O2 — CID 16598383

About 1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide

1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide (PubChem CID 16598383) has the molecular formula C23H37N3O2 and a molecular weight of 387.57 g/mol. Its IUPAC name is 1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
• PubChem CID: 16598383
• Molecular Formula: C23H37N3O2
• Molecular Weight: 387.57 g/mol
• Exact Mass: 387.29
• IUPAC Name: 1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
• SMILES: CC(C)CN(CC(C)C)C(=O)CN1CCCc2c(C(=O)NC(C)C)cccc21
• InChI: InChI=1S/C23H37N3O2/c1-16(2)13-26(14-17(3)4)22(27)15-25-12-8-10-19-20(9-7-11-21(19)25)23(28)24-18(5)6/h7,9,11,16-18H,8,10,12-15H2,1-6H3,(H,24,28)
• InChIKey: UJFLHNYSNPDQDX-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.57
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide?

The IUPAC name of 1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide (CID 16598383) is 1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide.

What is the SMILES notation for 1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide?

The canonical SMILES for 1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide is CC(C)CN(CC(C)C)C(=O)CN1CCCc2c(C(=O)NC(C)C)cccc21.

What is the InChIKey of 1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide?

The InChIKey is UJFLHNYSNPDQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O2/c1-16(2)13-26(14-17(3)4)22(27)15-25-12-8-10-19-20(9-7-11-21(19)25)23(28)24-18(5)6/h7,9,11,16-18H,8,10,12-15H2,1-6H3,(H,24,28).

What are the key properties of 1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide?

1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide has a molecular weight of 387.57 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide is sourced from PubChem (CID 16598383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).