8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-4-[(1S,3S)-3-methoxycyclopentyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one

C29H36N6O2 — CID 129104378

About 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-4-[(1S,3S)-3-methoxycyclopentyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one

8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-4-[(1S,3S)-3-methoxycyclopentyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one (PubChem CID 129104378) has the molecular formula C29H36N6O2 and a molecular weight of 500.65 g/mol. Its IUPAC name is 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-4-[(1S,3S)-3-methoxycyclopentyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

• Compound Name: 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-4-[(1S,3S)-3-methoxycyclopentyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one
• PubChem CID: 129104378
• Molecular Formula: C29H36N6O2
• Molecular Weight: 500.65 g/mol
• Exact Mass: 500.29
• IUPAC Name: 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-4-[(1S,3S)-3-methoxycyclopentyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one
• SMILES: CO[C@H]1CC[C@H](c2nc3ccc(-c4ccc(N5CCC(N(C)C)CC5)nc4)cc3c3[nH]c(=O)n(C)c23)C1
• InChI: InChI=1S/C29H36N6O2/c1-33(2)21-11-13-35(14-12-21)25-10-7-20(17-30-25)18-6-9-24-23(16-18)27-28(34(3)29(36)32-27)26(31-24)19-5-8-22(15-19)37-4/h6-7,9-10,16-17,19,21-22H,5,8,11-15H2,1-4H3,(H,32,36)/t19-,22-/m0/s1
• InChIKey: QIMNKWYXKMNMGD-UGKGYDQZSA-N
• XLogP: 4.29
• TPSA: 79.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.65
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-4-[(1S,3S)-3-methoxycyclopentyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one?

The IUPAC name of 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-4-[(1S,3S)-3-methoxycyclopentyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one (CID 129104378) is 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-4-[(1S,3S)-3-methoxycyclopentyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one.

What is the SMILES notation for 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-4-[(1S,3S)-3-methoxycyclopentyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one?

The canonical SMILES for 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-4-[(1S,3S)-3-methoxycyclopentyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one is CO[C@H]1CC[C@H](c2nc3ccc(-c4ccc(N5CCC(N(C)C)CC5)nc4)cc3c3[nH]c(=O)n(C)c23)C1.

What is the InChIKey of 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-4-[(1S,3S)-3-methoxycyclopentyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one?

The InChIKey is QIMNKWYXKMNMGD-UGKGYDQZSA-N. The full InChI is InChI=1S/C29H36N6O2/c1-33(2)21-11-13-35(14-12-21)25-10-7-20(17-30-25)18-6-9-24-23(16-18)27-28(34(3)29(36)32-27)26(31-24)19-5-8-22(15-19)37-4/h6-7,9-10,16-17,19,21-22H,5,8,11-15H2,1-4H3,(H,32,36)/t19-,22-/m0/s1.

What are the key properties of 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-4-[(1S,3S)-3-methoxycyclopentyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one?

8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-4-[(1S,3S)-3-methoxycyclopentyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 500.65 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-4-[(1S,3S)-3-methoxycyclopentyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 129104378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).