(2R)-1-acetyl-N-[2-[acetyl(methyl)amino]ethyl]-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide

C21H29N3O3 — CID 144701670

About (2R)-1-acetyl-N-[2-[acetyl(methyl)amino]ethyl]-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide

(2R)-1-acetyl-N-[2-[acetyl(methyl)amino]ethyl]-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 144701670) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is (2R)-1-acetyl-N-[2-[acetyl(methyl)amino]ethyl]-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

• Compound Name: (2R)-1-acetyl-N-[2-[acetyl(methyl)amino]ethyl]-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
• PubChem CID: 144701670
• Molecular Formula: C21H29N3O3
• Molecular Weight: 371.48 g/mol
• Exact Mass: 371.22
• IUPAC Name: (2R)-1-acetyl-N-[2-[acetyl(methyl)amino]ethyl]-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
• SMILES: CC(=O)N(C)CCNC(=O)c1ccc2c(c1)CC(C)[C@H](C1CC1)N2C(C)=O
• InChI: InChI=1S/C21H29N3O3/c1-13-11-18-12-17(21(27)22-9-10-23(4)14(2)25)7-8-19(18)24(15(3)26)20(13)16-5-6-16/h7-8,12-13,16,20H,5-6,9-11H2,1-4H3,(H,22,27)/t13?,20-/m1/s1
• InChIKey: HZSZUYQSPVAQHZ-LCNBYPMKSA-N
• XLogP: 2.22
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.48
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-N-[2-[acetyl(methyl)amino]ethyl]-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide?

The IUPAC name of (2R)-1-acetyl-N-[2-[acetyl(methyl)amino]ethyl]-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide (CID 144701670) is (2R)-1-acetyl-N-[2-[acetyl(methyl)amino]ethyl]-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide.

What is the SMILES notation for (2R)-1-acetyl-N-[2-[acetyl(methyl)amino]ethyl]-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide?

The canonical SMILES for (2R)-1-acetyl-N-[2-[acetyl(methyl)amino]ethyl]-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide is CC(=O)N(C)CCNC(=O)c1ccc2c(c1)CC(C)[C@H](C1CC1)N2C(C)=O.

What is the InChIKey of (2R)-1-acetyl-N-[2-[acetyl(methyl)amino]ethyl]-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide?

The InChIKey is HZSZUYQSPVAQHZ-LCNBYPMKSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-13-11-18-12-17(21(27)22-9-10-23(4)14(2)25)7-8-19(18)24(15(3)26)20(13)16-5-6-16/h7-8,12-13,16,20H,5-6,9-11H2,1-4H3,(H,22,27)/t13?,20-/m1/s1.

What are the key properties of (2R)-1-acetyl-N-[2-[acetyl(methyl)amino]ethyl]-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide?

(2R)-1-acetyl-N-[2-[acetyl(methyl)amino]ethyl]-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-acetyl-N-[2-[acetyl(methyl)amino]ethyl]-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 144701670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).