(5-methyl-1,2-oxazol-3-yl)methyl-[[4-[[[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamic acid

C34H41N7O4 — CID 69027613

About (5-methyl-1,2-oxazol-3-yl)methyl-[[4-[[[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamic acid

(5-methyl-1,2-oxazol-3-yl)methyl-[[4-[[[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamic acid (PubChem CID 69027613) has the molecular formula C34H41N7O4 and a molecular weight of 611.75 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)methyl-[[4-[[[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamic acid.

Molecular Properties

• Compound Name: (5-methyl-1,2-oxazol-3-yl)methyl-[[4-[[[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamic acid
• PubChem CID: 69027613
• Molecular Formula: C34H41N7O4
• Molecular Weight: 611.75 g/mol
• Exact Mass: 611.32
• IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl-[[4-[[[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamic acid
• SMILES: Cc1cc(CN(CC2CCC(CNC(=O)c3cc(-c4ccc(N5CCN(C)CC5)nc4)nc4ccccc34)CC2)C(=O)O)no1
• InChI: InChI=1S/C34H41N7O4/c1-23-17-27(38-45-23)22-41(34(43)44)21-25-9-7-24(8-10-25)19-36-33(42)29-18-31(37-30-6-4-3-5-28(29)30)26-11-12-32(35-20-26)40-15-13-39(2)14-16-40/h3-6,11-12,17-18,20,24-25H,7-10,13-16,19,21-22H2,1-2H3,(H,36,42)(H,43,44)
• InChIKey: UADPQNVGMMFDMO-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 127.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.75
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl-[[4-[[[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamic acid?

The IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl-[[4-[[[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamic acid (CID 69027613) is (5-methyl-1,2-oxazol-3-yl)methyl-[[4-[[[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamic acid.

What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)methyl-[[4-[[[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamic acid?

The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)methyl-[[4-[[[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamic acid is Cc1cc(CN(CC2CCC(CNC(=O)c3cc(-c4ccc(N5CCN(C)CC5)nc4)nc4ccccc34)CC2)C(=O)O)no1.

What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)methyl-[[4-[[[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamic acid?

The InChIKey is UADPQNVGMMFDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N7O4/c1-23-17-27(38-45-23)22-41(34(43)44)21-25-9-7-24(8-10-25)19-36-33(42)29-18-31(37-30-6-4-3-5-28(29)30)26-11-12-32(35-20-26)40-15-13-39(2)14-16-40/h3-6,11-12,17-18,20,24-25H,7-10,13-16,19,21-22H2,1-2H3,(H,36,42)(H,43,44).

What are the key properties of (5-methyl-1,2-oxazol-3-yl)methyl-[[4-[[[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamic acid?

(5-methyl-1,2-oxazol-3-yl)methyl-[[4-[[[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamic acid has a molecular weight of 611.75 g/mol, XLogP of 5.06, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methyl-1,2-oxazol-3-yl)methyl-[[4-[[[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamic acid is sourced from PubChem (CID 69027613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).