[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-yl]cyanamide

C24H21N7O2 — CID 91668224

IUPAC[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-yl]cyanamide
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1nc(NC#N)n([C@H](C)c3ccccn3)c12
InChIInChI=1S/C24H21N7O2/c1-13-22(15(3)33-30-13)17-9-19-16(10-21(17)32-4)23-20(11-27-19)29-24(28-12-25)31(23)14(2)18-7-5-6-8-26-18/h5-11,14H,1-4H3,(H,28,29)/t14-/m1/s1
InChIKeyPJSVTZAEFUMJQI-CQSZACIVSA-N
MW439.48 g/mol
LogP4.76
Rot. Bonds5

About [7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-yl]cyanamide

[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-yl]cyanamide (PubChem CID 91668224) has the molecular formula C24H21N7O2 and a molecular weight of 439.48 g/mol. Its IUPAC name is [7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-yl]cyanamide.

Molecular Properties

Compound Name[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-yl]cyanamide
PubChem CID91668224
Molecular FormulaC24H21N7O2
Molecular Weight439.48 g/mol
Exact Mass439.18
IUPAC Name[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-yl]cyanamide
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1nc(NC#N)n([C@H](C)c3ccccn3)c12
InChIInChI=1S/C24H21N7O2/c1-13-22(15(3)33-30-13)17-9-19-16(10-21(17)32-4)23-20(11-27-19)29-24(28-12-25)31(23)14(2)18-7-5-6-8-26-18/h5-11,14H,1-4H3,(H,28,29)/t14-/m1/s1
InChIKeyPJSVTZAEFUMJQI-CQSZACIVSA-N
XLogP4.76
TPSA114.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-yl]cyanamide?
The IUPAC name of [7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-yl]cyanamide (CID 91668224) is [7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-yl]cyanamide.
What is the SMILES notation for [7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-yl]cyanamide?
The canonical SMILES for [7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-yl]cyanamide is COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(NC#N)n([C@H](C)c3ccccn3)c12.
What is the InChIKey of [7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-yl]cyanamide?
The InChIKey is PJSVTZAEFUMJQI-CQSZACIVSA-N. The full InChI is InChI=1S/C24H21N7O2/c1-13-22(15(3)33-30-13)17-9-19-16(10-21(17)32-4)23-20(11-27-19)29-24(28-12-25)31(23)14(2)18-7-5-6-8-26-18/h5-11,14H,1-4H3,(H,28,29)/t14-/m1/s1.
What are the key properties of [7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-yl]cyanamide?
[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-yl]cyanamide has a molecular weight of 439.48 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-yl]cyanamide is sourced from PubChem (CID 91668224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).