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

C19H22N4O3 — CID 94077981

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

1-[(2-methoxy-3-pyridinyl)methyl]-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea (PubChem CID 94077981) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[(2-methoxy-3-pyridinyl)methyl]-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-[(2-methoxy-3-pyridinyl)methyl]-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
• PubChem CID: 94077981
• Molecular Formula: C19H22N4O3
• Molecular Weight: 354.41 g/mol
• Exact Mass: 354.17
• IUPAC Name: 1-[(2-methoxy-3-pyridinyl)methyl]-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
• SMILES: COc1ncccc1CNC(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2
• InChI: InChI=1S/C19H22N4O3/c1-12(13-5-7-16-14(10-13)6-8-17(24)23-16)22-19(25)21-11-15-4-3-9-20-18(15)26-2/h3-5,7,9-10,12H,6,8,11H2,1-2H3,(H,23,24)(H2,21,22,25)/t12-/m1/s1
• InChIKey: MAYFVNKROLXICD-GFCCVEGCSA-N
• XLogP: 2.54
• TPSA: 92.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.41
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[(2-methoxy-3-pyridinyl)methyl]-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea (CID 94077981) is 1-[(2-methoxy-3-pyridinyl)methyl]-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea.

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

The canonical SMILES for 1-[(2-methoxy-3-pyridinyl)methyl]-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea is COc1ncccc1CNC(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2.

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

The InChIKey is MAYFVNKROLXICD-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-12(13-5-7-16-14(10-13)6-8-17(24)23-16)22-19(25)21-11-15-4-3-9-20-18(15)26-2/h3-5,7,9-10,12H,6,8,11H2,1-2H3,(H,23,24)(H2,21,22,25)/t12-/m1/s1.

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

1-[(2-methoxy-3-pyridinyl)methyl]-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea has a molecular weight of 354.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-methoxy-3-pyridinyl)methyl]-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea is sourced from PubChem (CID 94077981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).