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

C32H38N8O2 — CID 15542691

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

N-[(2R)-1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 15542691) has the molecular formula C32H38N8O2 and a molecular weight of 566.71 g/mol. Its IUPAC name is N-[(2R)-1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
• PubChem CID: 15542691
• Molecular Formula: C32H38N8O2
• Molecular Weight: 566.71 g/mol
• Exact Mass: 566.31
• IUPAC Name: N-[(2R)-1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
• SMILES: CN(C)CC1Cc2ccccc2N(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCN(c3ncccn3)CC2)C1
• InChI: InChI=1S/C32H38N8O2/c1-37(2)21-23-18-24-8-3-6-11-29(24)40(22-23)30(41)28(19-25-20-35-27-10-5-4-9-26(25)27)36-32(42)39-16-14-38(15-17-39)31-33-12-7-13-34-31/h3-13,20,23,28,35H,14-19,21-22H2,1-2H3,(H,36,42)/t23?,28-/m1/s1
• InChIKey: MTKXFEASWLYRMO-GBAZGAGXSA-N
• XLogP: 3.17
• TPSA: 100.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.71
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(2R)-1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 15542691) is N-[(2R)-1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.

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

The canonical SMILES for N-[(2R)-1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is CN(C)CC1Cc2ccccc2N(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCN(c3ncccn3)CC2)C1.

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

The InChIKey is MTKXFEASWLYRMO-GBAZGAGXSA-N. The full InChI is InChI=1S/C32H38N8O2/c1-37(2)21-23-18-24-8-3-6-11-29(24)40(22-23)30(41)28(19-25-20-35-27-10-5-4-9-26(25)27)36-32(42)39-16-14-38(15-17-39)31-33-12-7-13-34-31/h3-13,20,23,28,35H,14-19,21-22H2,1-2H3,(H,36,42)/t23?,28-/m1/s1.

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

N-[(2R)-1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 566.71 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 15542691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).