1-acetyl-2-cyclopropyl-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]-N-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide

C24H29FN4O3 — CID 123598655

About 1-acetyl-2-cyclopropyl-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]-N-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide

1-acetyl-2-cyclopropyl-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]-N-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 123598655) has the molecular formula C24H29FN4O3 and a molecular weight of 440.52 g/mol. Its IUPAC name is 1-acetyl-2-cyclopropyl-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]-N-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

• Compound Name: 1-acetyl-2-cyclopropyl-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]-N-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
• PubChem CID: 123598655
• Molecular Formula: C24H29FN4O3
• Molecular Weight: 440.52 g/mol
• Exact Mass: 440.22
• IUPAC Name: 1-acetyl-2-cyclopropyl-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]-N-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
• SMILES: CC(=O)N1c2ccc(C(=O)NCCO)cc2C(Nc2ccc(F)c(C)n2)C(C)C1C1CC1
• InChI: InChI=1S/C24H29FN4O3/c1-13-22(28-21-9-7-19(25)14(2)27-21)18-12-17(24(32)26-10-11-30)6-8-20(18)29(15(3)31)23(13)16-4-5-16/h6-9,12-13,16,22-23,30H,4-5,10-11H2,1-3H3,(H,26,32)(H,27,28)
• InChIKey: QUVAYODSXKNIPK-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 94.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.52
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2-cyclopropyl-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]-N-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide?

The IUPAC name of 1-acetyl-2-cyclopropyl-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]-N-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide (CID 123598655) is 1-acetyl-2-cyclopropyl-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]-N-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide.

What is the SMILES notation for 1-acetyl-2-cyclopropyl-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]-N-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide?

The canonical SMILES for 1-acetyl-2-cyclopropyl-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]-N-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide is CC(=O)N1c2ccc(C(=O)NCCO)cc2C(Nc2ccc(F)c(C)n2)C(C)C1C1CC1.

What is the InChIKey of 1-acetyl-2-cyclopropyl-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]-N-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide?

The InChIKey is QUVAYODSXKNIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3/c1-13-22(28-21-9-7-19(25)14(2)27-21)18-12-17(24(32)26-10-11-30)6-8-20(18)29(15(3)31)23(13)16-4-5-16/h6-9,12-13,16,22-23,30H,4-5,10-11H2,1-3H3,(H,26,32)(H,27,28).

What are the key properties of 1-acetyl-2-cyclopropyl-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]-N-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide?

1-acetyl-2-cyclopropyl-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]-N-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 440.52 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-acetyl-2-cyclopropyl-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]-N-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 123598655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).