N-[(2R)-1-[5-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide

C34H39ClN6O2 — CID 70106902

About N-[(2R)-1-[5-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide

N-[(2R)-1-[5-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide (PubChem CID 70106902) has the molecular formula C34H39ClN6O2 and a molecular weight of 599.18 g/mol. Its IUPAC name is N-[(2R)-1-[5-chloro-3-[(dimethylamino)methyl]-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-[5-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
• PubChem CID: 70106902
• Molecular Formula: C34H39ClN6O2
• Molecular Weight: 599.18 g/mol
• Exact Mass: 598.28
• IUPAC Name: N-[(2R)-1-[5-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
• SMILES: CN(C)CC1Cc2c(Cl)cccc2N(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCN(c3ccccc3)CC2)C1
• InChI: InChI=1S/C34H39ClN6O2/c1-38(2)22-24-19-28-29(35)12-8-14-32(28)41(23-24)33(42)31(20-25-21-36-30-13-7-6-11-27(25)30)37-34(43)40-17-15-39(16-18-40)26-9-4-3-5-10-26/h3-14,21,24,31,36H,15-20,22-23H2,1-2H3,(H,37,43)/t24?,31-/m1/s1
• InChIKey: GYWWDJDQAHXJKK-BMXGUMNWSA-N
• XLogP: 5.03
• TPSA: 74.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	599.18
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[5-chloro-3-[(dimethylamino)methyl]-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-[5-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide (CID 70106902) is N-[(2R)-1-[5-chloro-3-[(dimethylamino)methyl]-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-[5-chloro-3-[(dimethylamino)methyl]-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-[5-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide is CN(C)CC1Cc2c(Cl)cccc2N(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCN(c3ccccc3)CC2)C1.

What is the InChIKey of N-[(2R)-1-[5-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide?

The InChIKey is GYWWDJDQAHXJKK-BMXGUMNWSA-N. The full InChI is InChI=1S/C34H39ClN6O2/c1-38(2)22-24-19-28-29(35)12-8-14-32(28)41(23-24)33(42)31(20-25-21-36-30-13-7-6-11-27(25)30)37-34(43)40-17-15-39(16-18-40)26-9-4-3-5-10-26/h3-14,21,24,31,36H,15-20,22-23H2,1-2H3,(H,37,43)/t24?,31-/m1/s1.

What are the key properties of N-[(2R)-1-[5-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide?

N-[(2R)-1-[5-chloro-3-[(dimethylamino)methyl]-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 599.18 g/mol, XLogP of 5.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-[5-chloro-3-[(dimethylamino)methyl]-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 70106902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).