1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea

C18H23N5O2 — CID 94120734

About 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea

1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea (PubChem CID 94120734) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
• PubChem CID: 94120734
• Molecular Formula: C18H23N5O2
• Molecular Weight: 341.42 g/mol
• Exact Mass: 341.19
• IUPAC Name: 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
• SMILES: C[C@@H](NC(=O)NCCc1cnn(C)c1)c1ccc2c(c1)CCC(=O)N2
• InChI: InChI=1S/C18H23N5O2/c1-12(14-3-5-16-15(9-14)4-6-17(24)22-16)21-18(25)19-8-7-13-10-20-23(2)11-13/h3,5,9-12H,4,6-8H2,1-2H3,(H,22,24)(H2,19,21,25)/t12-/m1/s1
• InChIKey: VMJTYBKORYHGBR-GFCCVEGCSA-N
• XLogP: 1.91
• TPSA: 88.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.42
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea?

The IUPAC name of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea (CID 94120734) is 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea.

What is the SMILES notation for 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea?

The canonical SMILES for 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea is C[C@@H](NC(=O)NCCc1cnn(C)c1)c1ccc2c(c1)CCC(=O)N2.

What is the InChIKey of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea?

The InChIKey is VMJTYBKORYHGBR-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12(14-3-5-16-15(9-14)4-6-17(24)22-16)21-18(25)19-8-7-13-10-20-23(2)11-13/h3,5,9-12H,4,6-8H2,1-2H3,(H,22,24)(H2,19,21,25)/t12-/m1/s1.

What are the key properties of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea?

1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea has a molecular weight of 341.42 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea is sourced from PubChem (CID 94120734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).