1-[2-[(7S)-6-[hydroxy(methoxy)methyl]-3,7-dimethyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-2-yl]ethyl]pyridin-2-one

C21H26N4O3 — CID 167089796

About 1-[2-[(7S)-6-[hydroxy(methoxy)methyl]-3,7-dimethyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-2-yl]ethyl]pyridin-2-one

1-[2-[(7S)-6-[hydroxy(methoxy)methyl]-3,7-dimethyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-2-yl]ethyl]pyridin-2-one (PubChem CID 167089796) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[2-[(7S)-6-[hydroxy(methoxy)methyl]-3,7-dimethyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-2-yl]ethyl]pyridin-2-one.

Molecular Properties

• Compound Name: 1-[2-[(7S)-6-[hydroxy(methoxy)methyl]-3,7-dimethyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-2-yl]ethyl]pyridin-2-one
• PubChem CID: 167089796
• Molecular Formula: C21H26N4O3
• Molecular Weight: 382.46 g/mol
• Exact Mass: 382.20
• IUPAC Name: 1-[2-[(7S)-6-[hydroxy(methoxy)methyl]-3,7-dimethyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-2-yl]ethyl]pyridin-2-one
• SMILES: COC(O)N1c2ccc3c(nc(CCn4ccccc4=O)n3C)c2CC[C@@H]1C
• InChI: InChI=1S/C21H26N4O3/c1-14-7-8-15-16(25(14)21(27)28-3)9-10-17-20(15)22-18(23(17)2)11-13-24-12-5-4-6-19(24)26/h4-6,9-10,12,14,21,27H,7-8,11,13H2,1-3H3/t14-,21?/m0/s1
• InChIKey: COSYONOUSBJYOY-YXWRBFHGSA-N
• XLogP: 2.04
• TPSA: 72.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.46
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(7S)-6-[hydroxy(methoxy)methyl]-3,7-dimethyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-2-yl]ethyl]pyridin-2-one?

The IUPAC name of 1-[2-[(7S)-6-[hydroxy(methoxy)methyl]-3,7-dimethyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-2-yl]ethyl]pyridin-2-one (CID 167089796) is 1-[2-[(7S)-6-[hydroxy(methoxy)methyl]-3,7-dimethyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-2-yl]ethyl]pyridin-2-one.

What is the SMILES notation for 1-[2-[(7S)-6-[hydroxy(methoxy)methyl]-3,7-dimethyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-2-yl]ethyl]pyridin-2-one?

The canonical SMILES for 1-[2-[(7S)-6-[hydroxy(methoxy)methyl]-3,7-dimethyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-2-yl]ethyl]pyridin-2-one is COC(O)N1c2ccc3c(nc(CCn4ccccc4=O)n3C)c2CC[C@@H]1C.

What is the InChIKey of 1-[2-[(7S)-6-[hydroxy(methoxy)methyl]-3,7-dimethyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-2-yl]ethyl]pyridin-2-one?

The InChIKey is COSYONOUSBJYOY-YXWRBFHGSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-14-7-8-15-16(25(14)21(27)28-3)9-10-17-20(15)22-18(23(17)2)11-13-24-12-5-4-6-19(24)26/h4-6,9-10,12,14,21,27H,7-8,11,13H2,1-3H3/t14-,21?/m0/s1.

What are the key properties of 1-[2-[(7S)-6-[hydroxy(methoxy)methyl]-3,7-dimethyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-2-yl]ethyl]pyridin-2-one?

1-[2-[(7S)-6-[hydroxy(methoxy)methyl]-3,7-dimethyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-2-yl]ethyl]pyridin-2-one has a molecular weight of 382.46 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(7S)-6-[hydroxy(methoxy)methyl]-3,7-dimethyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-2-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 167089796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).