1-[2-[(7S)-3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methyl-6,7,8,9-tetrahydroimidazo[4,5-f]quinolin-2-yl]ethyl]pyridin-2-one

C26H35N5O2 — CID 142546304

About 1-[2-[(7S)-3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methyl-6,7,8,9-tetrahydroimidazo[4,5-f]quinolin-2-yl]ethyl]pyridin-2-one

1-[2-[(7S)-3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methyl-6,7,8,9-tetrahydroimidazo[4,5-f]quinolin-2-yl]ethyl]pyridin-2-one (PubChem CID 142546304) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is 1-[2-[(7S)-3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methyl-6,7,8,9-tetrahydroimidazo[4,5-f]quinolin-2-yl]ethyl]pyridin-2-one.

Molecular Properties

• Compound Name: 1-[2-[(7S)-3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methyl-6,7,8,9-tetrahydroimidazo[4,5-f]quinolin-2-yl]ethyl]pyridin-2-one
• PubChem CID: 142546304
• Molecular Formula: C26H35N5O2
• Molecular Weight: 449.60 g/mol
• Exact Mass: 449.28
• IUPAC Name: 1-[2-[(7S)-3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methyl-6,7,8,9-tetrahydroimidazo[4,5-f]quinolin-2-yl]ethyl]pyridin-2-one
• SMILES: C[C@H]1CCc2c(ccc3c2nc(CCn2ccccc2=O)n3CCN2CCC(CO)CC2)N1
• InChI: InChI=1S/C26H35N5O2/c1-19-5-6-21-22(27-19)7-8-23-26(21)28-24(11-15-30-12-3-2-4-25(30)33)31(23)17-16-29-13-9-20(18-32)10-14-29/h2-4,7-8,12,19-20,27,32H,5-6,9-11,13-18H2,1H3/t19-/m0/s1
• InChIKey: LXTSKIPPBFFLIR-IBGZPJMESA-N
• XLogP: 2.89
• TPSA: 75.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.60
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(7S)-3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methyl-6,7,8,9-tetrahydroimidazo[4,5-f]quinolin-2-yl]ethyl]pyridin-2-one?

The IUPAC name of 1-[2-[(7S)-3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methyl-6,7,8,9-tetrahydroimidazo[4,5-f]quinolin-2-yl]ethyl]pyridin-2-one (CID 142546304) is 1-[2-[(7S)-3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methyl-6,7,8,9-tetrahydroimidazo[4,5-f]quinolin-2-yl]ethyl]pyridin-2-one.

What is the SMILES notation for 1-[2-[(7S)-3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methyl-6,7,8,9-tetrahydroimidazo[4,5-f]quinolin-2-yl]ethyl]pyridin-2-one?

The canonical SMILES for 1-[2-[(7S)-3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methyl-6,7,8,9-tetrahydroimidazo[4,5-f]quinolin-2-yl]ethyl]pyridin-2-one is C[C@H]1CCc2c(ccc3c2nc(CCn2ccccc2=O)n3CCN2CCC(CO)CC2)N1.

What is the InChIKey of 1-[2-[(7S)-3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methyl-6,7,8,9-tetrahydroimidazo[4,5-f]quinolin-2-yl]ethyl]pyridin-2-one?

The InChIKey is LXTSKIPPBFFLIR-IBGZPJMESA-N. The full InChI is InChI=1S/C26H35N5O2/c1-19-5-6-21-22(27-19)7-8-23-26(21)28-24(11-15-30-12-3-2-4-25(30)33)31(23)17-16-29-13-9-20(18-32)10-14-29/h2-4,7-8,12,19-20,27,32H,5-6,9-11,13-18H2,1H3/t19-/m0/s1.

What are the key properties of 1-[2-[(7S)-3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methyl-6,7,8,9-tetrahydroimidazo[4,5-f]quinolin-2-yl]ethyl]pyridin-2-one?

1-[2-[(7S)-3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methyl-6,7,8,9-tetrahydroimidazo[4,5-f]quinolin-2-yl]ethyl]pyridin-2-one has a molecular weight of 449.60 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(7S)-3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methyl-6,7,8,9-tetrahydroimidazo[4,5-f]quinolin-2-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 142546304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).