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-phenylpiperazine-1-carboxamide

C34H39FN6O2 — CID 70103413

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-phenylpiperazine-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-phenylpiperazine-1-carboxamide (PubChem CID 70103413) has the molecular formula C34H39FN6O2 and a molecular weight of 582.72 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-phenylpiperazine-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-phenylpiperazine-1-carboxamide
• PubChem CID: 70103413
• Molecular Formula: C34H39FN6O2
• Molecular Weight: 582.72 g/mol
• Exact Mass: 582.31
• 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-phenylpiperazine-1-carboxamide
• SMILES: CN(C)C[C@H]1Cc2cc(F)ccc2N(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCN(c3ccccc3)CC2)C1
• InChI: InChI=1S/C34H39FN6O2/c1-38(2)22-24-18-25-19-27(35)12-13-32(25)41(23-24)33(42)31(20-26-21-36-30-11-7-6-10-29(26)30)37-34(43)40-16-14-39(15-17-40)28-8-4-3-5-9-28/h3-13,19,21,24,31,36H,14-18,20,22-23H2,1-2H3,(H,37,43)/t24-,31-/m1/s1
• InChIKey: ODTGGLYJVHFZTG-WBBHLRKXSA-N
• XLogP: 4.52
• TPSA: 74.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.72
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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-phenylpiperazine-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-phenylpiperazine-1-carboxamide (CID 70103413) 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-phenylpiperazine-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-phenylpiperazine-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-phenylpiperazine-1-carboxamide is CN(C)C[C@H]1Cc2cc(F)ccc2N(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCN(c3ccccc3)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-phenylpiperazine-1-carboxamide?

The InChIKey is ODTGGLYJVHFZTG-WBBHLRKXSA-N. The full InChI is InChI=1S/C34H39FN6O2/c1-38(2)22-24-18-25-19-27(35)12-13-32(25)41(23-24)33(42)31(20-26-21-36-30-11-7-6-10-29(26)30)37-34(43)40-16-14-39(15-17-40)28-8-4-3-5-9-28/h3-13,19,21,24,31,36H,14-18,20,22-23H2,1-2H3,(H,37,43)/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-phenylpiperazine-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-phenylpiperazine-1-carboxamide has a molecular weight of 582.72 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 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-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 70103413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).