N-[1-cyclohexyl-2-[2-[5-(4-fluorophenyl)-3,4-dihydroquinolin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;molecular hydrogen

C31H43FN4O2 — CID 143657078

About N-[1-cyclohexyl-2-[2-[5-(4-fluorophenyl)-3,4-dihydroquinolin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;molecular hydrogen

N-[1-cyclohexyl-2-[2-[5-(4-fluorophenyl)-3,4-dihydroquinolin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;molecular hydrogen (PubChem CID 143657078) has the molecular formula C31H43FN4O2 and a molecular weight of 522.71 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-[2-[5-(4-fluorophenyl)-3,4-dihydroquinolin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[1-cyclohexyl-2-[2-[5-(4-fluorophenyl)-3,4-dihydroquinolin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;molecular hydrogen
• PubChem CID: 143657078
• Molecular Formula: C31H43FN4O2
• Molecular Weight: 522.71 g/mol
• Exact Mass: 522.34
• IUPAC Name: N-[1-cyclohexyl-2-[2-[5-(4-fluorophenyl)-3,4-dihydroquinolin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;molecular hydrogen
• SMILES: CNC(C)C(=O)NC(C(=O)N1CCCC1C1=Nc2cccc(-c3ccc(F)cc3)c2CC1)C1CCCCC1.[H][H].[H][H]
• InChI: InChI=1S/C31H39FN4O2.2H2/c1-20(33-2)30(37)35-29(22-8-4-3-5-9-22)31(38)36-19-7-12-28(36)27-18-17-25-24(10-6-11-26(25)34-27)21-13-15-23(32)16-14-21;;/h6,10-11,13-16,20,22,28-29,33H,3-5,7-9,12,17-19H2,1-2H3,(H,35,37);2*1H
• InChIKey: KRAFTAUNNXNSNN-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 73.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.71
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2-[2-[5-(4-fluorophenyl)-3,4-dihydroquinolin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;molecular hydrogen?

The IUPAC name of N-[1-cyclohexyl-2-[2-[5-(4-fluorophenyl)-3,4-dihydroquinolin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;molecular hydrogen (CID 143657078) is N-[1-cyclohexyl-2-[2-[5-(4-fluorophenyl)-3,4-dihydroquinolin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;molecular hydrogen.

What is the SMILES notation for N-[1-cyclohexyl-2-[2-[5-(4-fluorophenyl)-3,4-dihydroquinolin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;molecular hydrogen?

The canonical SMILES for N-[1-cyclohexyl-2-[2-[5-(4-fluorophenyl)-3,4-dihydroquinolin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;molecular hydrogen is CNC(C)C(=O)NC(C(=O)N1CCCC1C1=Nc2cccc(-c3ccc(F)cc3)c2CC1)C1CCCCC1.[H][H].[H][H].

What is the InChIKey of N-[1-cyclohexyl-2-[2-[5-(4-fluorophenyl)-3,4-dihydroquinolin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;molecular hydrogen?

The InChIKey is KRAFTAUNNXNSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39FN4O2.2H2/c1-20(33-2)30(37)35-29(22-8-4-3-5-9-22)31(38)36-19-7-12-28(36)27-18-17-25-24(10-6-11-26(25)34-27)21-13-15-23(32)16-14-21;;/h6,10-11,13-16,20,22,28-29,33H,3-5,7-9,12,17-19H2,1-2H3,(H,35,37);2*1H.

What are the key properties of N-[1-cyclohexyl-2-[2-[5-(4-fluorophenyl)-3,4-dihydroquinolin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;molecular hydrogen?

N-[1-cyclohexyl-2-[2-[5-(4-fluorophenyl)-3,4-dihydroquinolin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;molecular hydrogen has a molecular weight of 522.71 g/mol, XLogP of 5.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyclohexyl-2-[2-[5-(4-fluorophenyl)-3,4-dihydroquinolin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;molecular hydrogen is sourced from PubChem (CID 143657078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).