1-[(6-methyl-3-pyridinyl)methyl]-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea

C19H22N4O2 — CID 94115891

About 1-[(6-methyl-3-pyridinyl)methyl]-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea

1-[(6-methyl-3-pyridinyl)methyl]-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea (PubChem CID 94115891) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[(6-methyl-3-pyridinyl)methyl]-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-[(6-methyl-3-pyridinyl)methyl]-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
• PubChem CID: 94115891
• Molecular Formula: C19H22N4O2
• Molecular Weight: 338.41 g/mol
• Exact Mass: 338.17
• IUPAC Name: 1-[(6-methyl-3-pyridinyl)methyl]-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
• SMILES: Cc1ccc(CNC(=O)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cn1
• InChI: InChI=1S/C19H22N4O2/c1-12-3-4-14(10-20-12)11-21-19(25)22-13(2)15-5-7-17-16(9-15)6-8-18(24)23-17/h3-5,7,9-10,13H,6,8,11H2,1-2H3,(H,23,24)(H2,21,22,25)/t13-/m0/s1
• InChIKey: WNJIFRXGHYKTIV-ZDUSSCGKSA-N
• XLogP: 2.84
• TPSA: 83.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.41
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1-[(6-methyl-3-pyridinyl)methyl]-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea (CID 94115891) is 1-[(6-methyl-3-pyridinyl)methyl]-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea.

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

The canonical SMILES for 1-[(6-methyl-3-pyridinyl)methyl]-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea is Cc1ccc(CNC(=O)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cn1.

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

The InChIKey is WNJIFRXGHYKTIV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12-3-4-14(10-20-12)11-21-19(25)22-13(2)15-5-7-17-16(9-15)6-8-18(24)23-17/h3-5,7,9-10,13H,6,8,11H2,1-2H3,(H,23,24)(H2,21,22,25)/t13-/m0/s1.

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

1-[(6-methyl-3-pyridinyl)methyl]-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea has a molecular weight of 338.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6-methyl-3-pyridinyl)methyl]-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea is sourced from PubChem (CID 94115891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).