8-[4-[3-(dimethylamino)propoxy]phenyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one

C27H32N4O3 — CID 129104198

IUPAC8-[4-[3-(dimethylamino)propoxy]phenyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
SMILESCN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)n([C@@H]2CCCOC2)c(=O)n4C)cc1
InChIInChI=1S/C27H32N4O3/c1-29(2)13-5-15-34-22-10-7-19(8-11-22)20-9-12-24-23(16-20)26-25(17-28-24)30(3)27(32)31(26)21-6-4-14-33-18-21/h7-12,16-17,21H,4-6,13-15,18H2,1-3H3/t21-/m1/s1
InChIKeyXMTRDVDPMSLYSE-OAQYLSRUSA-N
MW460.58 g/mol
LogP4.24
Rot. Bonds7

About 8-[4-[3-(dimethylamino)propoxy]phenyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one

8-[4-[3-(dimethylamino)propoxy]phenyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one (PubChem CID 129104198) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is 8-[4-[3-(dimethylamino)propoxy]phenyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-[4-[3-(dimethylamino)propoxy]phenyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
PubChem CID129104198
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC Name8-[4-[3-(dimethylamino)propoxy]phenyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
SMILESCN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)n([C@@H]2CCCOC2)c(=O)n4C)cc1
InChIInChI=1S/C27H32N4O3/c1-29(2)13-5-15-34-22-10-7-19(8-11-22)20-9-12-24-23(16-20)26-25(17-28-24)30(3)27(32)31(26)21-6-4-14-33-18-21/h7-12,16-17,21H,4-6,13-15,18H2,1-3H3/t21-/m1/s1
InChIKeyXMTRDVDPMSLYSE-OAQYLSRUSA-N
XLogP4.24
TPSA61.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[3-(dimethylamino)propoxy]phenyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-[4-[3-(dimethylamino)propoxy]phenyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one (CID 129104198) is 8-[4-[3-(dimethylamino)propoxy]phenyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-[4-[3-(dimethylamino)propoxy]phenyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-[4-[3-(dimethylamino)propoxy]phenyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one is CN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)n([C@@H]2CCCOC2)c(=O)n4C)cc1.
What is the InChIKey of 8-[4-[3-(dimethylamino)propoxy]phenyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one?
The InChIKey is XMTRDVDPMSLYSE-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H32N4O3/c1-29(2)13-5-15-34-22-10-7-19(8-11-22)20-9-12-24-23(16-20)26-25(17-28-24)30(3)27(32)31(26)21-6-4-14-33-18-21/h7-12,16-17,21H,4-6,13-15,18H2,1-3H3/t21-/m1/s1.
What are the key properties of 8-[4-[3-(dimethylamino)propoxy]phenyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one?
8-[4-[3-(dimethylamino)propoxy]phenyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one has a molecular weight of 460.58 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[3-(dimethylamino)propoxy]phenyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 129104198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).