(3R)-4-cyclopentyl-6-[5-(4-cyclopropylpiperazine-1-carbonyl)-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-3H-quinoxalin-2-one

C32H39N7O2 — CID 146322268

About (3R)-4-cyclopentyl-6-[5-(4-cyclopropylpiperazine-1-carbonyl)-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-3H-quinoxalin-2-one

(3R)-4-cyclopentyl-6-[5-(4-cyclopropylpiperazine-1-carbonyl)-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-3H-quinoxalin-2-one (PubChem CID 146322268) has the molecular formula C32H39N7O2 and a molecular weight of 553.71 g/mol. Its IUPAC name is (3R)-4-cyclopentyl-6-[5-(4-cyclopropylpiperazine-1-carbonyl)-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-3H-quinoxalin-2-one.

Molecular Properties

• Compound Name: (3R)-4-cyclopentyl-6-[5-(4-cyclopropylpiperazine-1-carbonyl)-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-3H-quinoxalin-2-one
• PubChem CID: 146322268
• Molecular Formula: C32H39N7O2
• Molecular Weight: 553.71 g/mol
• Exact Mass: 553.32
• IUPAC Name: (3R)-4-cyclopentyl-6-[5-(4-cyclopropylpiperazine-1-carbonyl)-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-3H-quinoxalin-2-one
• SMILES: Cc1ccc(-n2nc(C(=O)N3CCN(C4CC4)CC3)nc2-c2ccc3c(c2)N(C2CCCC2)[C@H](C)C(=O)N3C)cc1
• InChI: InChI=1S/C32H39N7O2/c1-21-8-11-26(12-9-21)39-30(33-29(34-39)32(41)37-18-16-36(17-19-37)24-13-14-24)23-10-15-27-28(20-23)38(25-6-4-5-7-25)22(2)31(40)35(27)3/h8-12,15,20,22,24-25H,4-7,13-14,16-19H2,1-3H3/t22-/m1/s1
• InChIKey: HDVNLYDXFKRMOA-JOCHJYFZSA-N
• XLogP: 4.28
• TPSA: 77.81 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.71
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3R)-4-cyclopentyl-6-[5-(4-cyclopropylpiperazine-1-carbonyl)-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-3H-quinoxalin-2-one?

The IUPAC name of (3R)-4-cyclopentyl-6-[5-(4-cyclopropylpiperazine-1-carbonyl)-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-3H-quinoxalin-2-one (CID 146322268) is (3R)-4-cyclopentyl-6-[5-(4-cyclopropylpiperazine-1-carbonyl)-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-3H-quinoxalin-2-one.

What is the SMILES notation for (3R)-4-cyclopentyl-6-[5-(4-cyclopropylpiperazine-1-carbonyl)-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-3H-quinoxalin-2-one?

The canonical SMILES for (3R)-4-cyclopentyl-6-[5-(4-cyclopropylpiperazine-1-carbonyl)-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-3H-quinoxalin-2-one is Cc1ccc(-n2nc(C(=O)N3CCN(C4CC4)CC3)nc2-c2ccc3c(c2)N(C2CCCC2)[C@H](C)C(=O)N3C)cc1.

What is the InChIKey of (3R)-4-cyclopentyl-6-[5-(4-cyclopropylpiperazine-1-carbonyl)-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-3H-quinoxalin-2-one?

The InChIKey is HDVNLYDXFKRMOA-JOCHJYFZSA-N. The full InChI is InChI=1S/C32H39N7O2/c1-21-8-11-26(12-9-21)39-30(33-29(34-39)32(41)37-18-16-36(17-19-37)24-13-14-24)23-10-15-27-28(20-23)38(25-6-4-5-7-25)22(2)31(40)35(27)3/h8-12,15,20,22,24-25H,4-7,13-14,16-19H2,1-3H3/t22-/m1/s1.

What are the key properties of (3R)-4-cyclopentyl-6-[5-(4-cyclopropylpiperazine-1-carbonyl)-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-3H-quinoxalin-2-one?

(3R)-4-cyclopentyl-6-[5-(4-cyclopropylpiperazine-1-carbonyl)-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-3H-quinoxalin-2-one has a molecular weight of 553.71 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-4-cyclopentyl-6-[5-(4-cyclopropylpiperazine-1-carbonyl)-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-3H-quinoxalin-2-one is sourced from PubChem (CID 146322268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).