7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-2-amine

C25H26N6O3 — CID 66571407

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-2-amine
SMILESCOCCNc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1Cc1ccccn1
InChIInChI=1S/C25H26N6O3/c1-15-23(16(2)34-30-15)19-11-20-18(12-22(19)33-4)24-21(13-28-20)29-25(27-9-10-32-3)31(24)14-17-7-5-6-8-26-17/h5-8,11-13H,9-10,14H2,1-4H3,(H,27,29)
InChIKeyCUJZFENGTCXFNC-UHFFFAOYSA-N
MW458.52 g/mol
LogP4.37
Rot. Bonds8

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-2-amine

7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-2-amine (PubChem CID 66571407) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-2-amine.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-2-amine
PubChem CID66571407
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-2-amine
SMILESCOCCNc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1Cc1ccccn1
InChIInChI=1S/C25H26N6O3/c1-15-23(16(2)34-30-15)19-11-20-18(12-22(19)33-4)24-21(13-28-20)29-25(27-9-10-32-3)31(24)14-17-7-5-6-8-26-17/h5-8,11-13H,9-10,14H2,1-4H3,(H,27,29)
InChIKeyCUJZFENGTCXFNC-UHFFFAOYSA-N
XLogP4.37
TPSA100.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-2-amine?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-2-amine (CID 66571407) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-2-amine.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-2-amine?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-2-amine is COCCNc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1Cc1ccccn1.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-2-amine?
The InChIKey is CUJZFENGTCXFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-15-23(16(2)34-30-15)19-11-20-18(12-22(19)33-4)24-21(13-28-20)29-25(27-9-10-32-3)31(24)14-17-7-5-6-8-26-17/h5-8,11-13H,9-10,14H2,1-4H3,(H,27,29).
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-2-amine?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-2-amine has a molecular weight of 458.52 g/mol, XLogP of 4.37, 8 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-N-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-2-amine is sourced from PubChem (CID 66571407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).