1,1-dimethyl-3-[(6R)-1-[(6-methyl-2-pyridinyl)methyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]urea

C19H24N4O2 — CID 97466772

About 1,1-dimethyl-3-[(6R)-1-[(6-methyl-2-pyridinyl)methyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]urea

1,1-dimethyl-3-[(6R)-1-[(6-methyl-2-pyridinyl)methyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]urea (PubChem CID 97466772) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1,1-dimethyl-3-[(6R)-1-[(6-methyl-2-pyridinyl)methyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]urea.

Molecular Properties

• Compound Name: 1,1-dimethyl-3-[(6R)-1-[(6-methyl-2-pyridinyl)methyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]urea
• PubChem CID: 97466772
• Molecular Formula: C19H24N4O2
• Molecular Weight: 340.43 g/mol
• Exact Mass: 340.19
• IUPAC Name: 1,1-dimethyl-3-[(6R)-1-[(6-methyl-2-pyridinyl)methyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]urea
• SMILES: Cc1cccc(Cn2c3c(ccc2=O)C[C@H](NC(=O)N(C)C)CC3)n1
• InChI: InChI=1S/C19H24N4O2/c1-13-5-4-6-16(20-13)12-23-17-9-8-15(21-19(25)22(2)3)11-14(17)7-10-18(23)24/h4-7,10,15H,8-9,11-12H2,1-3H3,(H,21,25)/t15-/m1/s1
• InChIKey: JJEJXBIXGKTDDP-OAHLLOKOSA-N
• XLogP: 1.73
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.43
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[(6R)-1-[(6-methyl-2-pyridinyl)methyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]urea?

The IUPAC name of 1,1-dimethyl-3-[(6R)-1-[(6-methyl-2-pyridinyl)methyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]urea (CID 97466772) is 1,1-dimethyl-3-[(6R)-1-[(6-methyl-2-pyridinyl)methyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]urea.

What is the SMILES notation for 1,1-dimethyl-3-[(6R)-1-[(6-methyl-2-pyridinyl)methyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]urea?

The canonical SMILES for 1,1-dimethyl-3-[(6R)-1-[(6-methyl-2-pyridinyl)methyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]urea is Cc1cccc(Cn2c3c(ccc2=O)C[C@H](NC(=O)N(C)C)CC3)n1.

What is the InChIKey of 1,1-dimethyl-3-[(6R)-1-[(6-methyl-2-pyridinyl)methyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]urea?

The InChIKey is JJEJXBIXGKTDDP-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-5-4-6-16(20-13)12-23-17-9-8-15(21-19(25)22(2)3)11-14(17)7-10-18(23)24/h4-7,10,15H,8-9,11-12H2,1-3H3,(H,21,25)/t15-/m1/s1.

What are the key properties of 1,1-dimethyl-3-[(6R)-1-[(6-methyl-2-pyridinyl)methyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]urea?

1,1-dimethyl-3-[(6R)-1-[(6-methyl-2-pyridinyl)methyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]urea has a molecular weight of 340.43 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-dimethyl-3-[(6R)-1-[(6-methyl-2-pyridinyl)methyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]urea is sourced from PubChem (CID 97466772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).