6-[(1R)-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one

C16H20N4O — CID 95137572

About 6-[(1R)-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one

6-[(1R)-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 95137572) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-[(1R)-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 6-[(1R)-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
• PubChem CID: 95137572
• Molecular Formula: C16H20N4O
• Molecular Weight: 284.36 g/mol
• Exact Mass: 284.16
• IUPAC Name: 6-[(1R)-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
• SMILES: Cc1[nH]ncc1CN[C@H](C)c1ccc2c(c1)CCC(=O)N2
• InChI: InChI=1S/C16H20N4O/c1-10(17-8-14-9-18-20-11(14)2)12-3-5-15-13(7-12)4-6-16(21)19-15/h3,5,7,9-10,17H,4,6,8H2,1-2H3,(H,18,20)(H,19,21)/t10-/m1/s1
• InChIKey: IIMISRFUHSMBEB-SNVBAGLBSA-N
• XLogP: 2.45
• TPSA: 69.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	284.36
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one?

The IUPAC name of 6-[(1R)-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one (CID 95137572) is 6-[(1R)-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one.

What is the SMILES notation for 6-[(1R)-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one?

The canonical SMILES for 6-[(1R)-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one is Cc1[nH]ncc1CN[C@H](C)c1ccc2c(c1)CCC(=O)N2.

What is the InChIKey of 6-[(1R)-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one?

The InChIKey is IIMISRFUHSMBEB-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H20N4O/c1-10(17-8-14-9-18-20-11(14)2)12-3-5-15-13(7-12)4-6-16(21)19-15/h3,5,7,9-10,17H,4,6,8H2,1-2H3,(H,18,20)(H,19,21)/t10-/m1/s1.

What are the key properties of 6-[(1R)-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one?

6-[(1R)-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 284.36 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1R)-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 95137572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).