4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-yl]morpholine

C26H31N5O4 — CID 66571408

IUPAC4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-yl]morpholine
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1nc(N3CCOCC3)n(CC3CCOCC3)c12
InChIInChI=1S/C26H31N5O4/c1-16-24(17(2)35-29-16)20-12-21-19(13-23(20)32-3)25-22(14-27-21)28-26(30-6-10-34-11-7-30)31(25)15-18-4-8-33-9-5-18/h12-14,18H,4-11,15H2,1-3H3
InChIKeyKBQLRXYOFJFCCX-UHFFFAOYSA-N
MW477.57 g/mol
LogP4.13
Rot. Bonds5

About 4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-yl]morpholine

4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-yl]morpholine (PubChem CID 66571408) has the molecular formula C26H31N5O4 and a molecular weight of 477.57 g/mol. Its IUPAC name is 4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-yl]morpholine.

Molecular Properties

Compound Name4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-yl]morpholine
PubChem CID66571408
Molecular FormulaC26H31N5O4
Molecular Weight477.57 g/mol
Exact Mass477.24
IUPAC Name4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-yl]morpholine
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1nc(N3CCOCC3)n(CC3CCOCC3)c12
InChIInChI=1S/C26H31N5O4/c1-16-24(17(2)35-29-16)20-12-21-19(13-23(20)32-3)25-22(14-27-21)28-26(30-6-10-34-11-7-30)31(25)15-18-4-8-33-9-5-18/h12-14,18H,4-11,15H2,1-3H3
InChIKeyKBQLRXYOFJFCCX-UHFFFAOYSA-N
XLogP4.13
TPSA87.67 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-yl]morpholine?
The IUPAC name of 4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-yl]morpholine (CID 66571408) is 4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-yl]morpholine.
What is the SMILES notation for 4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-yl]morpholine?
The canonical SMILES for 4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-yl]morpholine is COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(N3CCOCC3)n(CC3CCOCC3)c12.
What is the InChIKey of 4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-yl]morpholine?
The InChIKey is KBQLRXYOFJFCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O4/c1-16-24(17(2)35-29-16)20-12-21-19(13-23(20)32-3)25-22(14-27-21)28-26(30-6-10-34-11-7-30)31(25)15-18-4-8-33-9-5-18/h12-14,18H,4-11,15H2,1-3H3.
What are the key properties of 4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-yl]morpholine?
4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-yl]morpholine has a molecular weight of 477.57 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-yl]morpholine is sourced from PubChem (CID 66571408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).