N-[(2R)-1-[(3R)-3-[(dimethylamino)methyl]-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-1-carboxamide

C37H42FN7O3 — CID 70104718

About N-[(2R)-1-[(3R)-3-[(dimethylamino)methyl]-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-1-carboxamide

N-[(2R)-1-[(3R)-3-[(dimethylamino)methyl]-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-1-carboxamide (PubChem CID 70104718) has the molecular formula C37H42FN7O3 and a molecular weight of 651.79 g/mol. Its IUPAC name is N-[(2R)-1-[(3R)-3-[(dimethylamino)methyl]-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-[(3R)-3-[(dimethylamino)methyl]-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-1-carboxamide
• PubChem CID: 70104718
• Molecular Formula: C37H42FN7O3
• Molecular Weight: 651.79 g/mol
• Exact Mass: 651.33
• IUPAC Name: N-[(2R)-1-[(3R)-3-[(dimethylamino)methyl]-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-1-carboxamide
• SMILES: CN(C)C[C@H]1Cc2cc(F)ccc2N(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCC(n3c(=O)n(C)c4ccccc43)CC2)C1
• InChI: InChI=1S/C37H42FN7O3/c1-41(2)22-24-18-25-19-27(38)12-13-32(25)44(23-24)35(46)31(20-26-21-39-30-9-5-4-8-29(26)30)40-36(47)43-16-14-28(15-17-43)45-34-11-7-6-10-33(34)42(3)37(45)48/h4-13,19,21,24,28,31,39H,14-18,20,22-23H2,1-3H3,(H,40,47)/t24-,31-/m1/s1
• InChIKey: APLDFAJXSFYPDJ-WBBHLRKXSA-N
• XLogP: 4.69
• TPSA: 98.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	651.79
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(3R)-3-[(dimethylamino)methyl]-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-1-carboxamide?

The IUPAC name of N-[(2R)-1-[(3R)-3-[(dimethylamino)methyl]-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-1-carboxamide (CID 70104718) is N-[(2R)-1-[(3R)-3-[(dimethylamino)methyl]-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-1-carboxamide.

What is the SMILES notation for N-[(2R)-1-[(3R)-3-[(dimethylamino)methyl]-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-1-carboxamide?

The canonical SMILES for N-[(2R)-1-[(3R)-3-[(dimethylamino)methyl]-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-1-carboxamide is CN(C)C[C@H]1Cc2cc(F)ccc2N(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCC(n3c(=O)n(C)c4ccccc43)CC2)C1.

What is the InChIKey of N-[(2R)-1-[(3R)-3-[(dimethylamino)methyl]-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-1-carboxamide?

The InChIKey is APLDFAJXSFYPDJ-WBBHLRKXSA-N. The full InChI is InChI=1S/C37H42FN7O3/c1-41(2)22-24-18-25-19-27(38)12-13-32(25)44(23-24)35(46)31(20-26-21-39-30-9-5-4-8-29(26)30)40-36(47)43-16-14-28(15-17-43)45-34-11-7-6-10-33(34)42(3)37(45)48/h4-13,19,21,24,28,31,39H,14-18,20,22-23H2,1-3H3,(H,40,47)/t24-,31-/m1/s1.

What are the key properties of N-[(2R)-1-[(3R)-3-[(dimethylamino)methyl]-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-1-carboxamide?

N-[(2R)-1-[(3R)-3-[(dimethylamino)methyl]-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-1-carboxamide has a molecular weight of 651.79 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-[(3R)-3-[(dimethylamino)methyl]-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 70104718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).