(3,3-dimethylmorpholin-4-yl)-[7-methoxy-1-(1-methyltriazol-4-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone

C25H32N6O4 — CID 87057155

IUPAC(3,3-dimethylmorpholin-4-yl)-[7-methoxy-1-(1-methyltriazol-4-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone
SMILESCOc1cc2c(cc1OC(C)C)-n1c(-c3cn(C)nn3)nc(C(=O)N3CCOCC3(C)C)c1CC2
InChIInChI=1S/C25H32N6O4/c1-15(2)35-21-12-19-16(11-20(21)33-6)7-8-18-22(24(32)30-9-10-34-14-25(30,3)4)26-23(31(18)19)17-13-29(5)28-27-17/h11-13,15H,7-10,14H2,1-6H3
InChIKeyPLCZKNQBIHBWGY-UHFFFAOYSA-N
MW480.57 g/mol
LogP2.81
Rot. Bonds5

About (3,3-dimethylmorpholin-4-yl)-[7-methoxy-1-(1-methyltriazol-4-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone

(3,3-dimethylmorpholin-4-yl)-[7-methoxy-1-(1-methyltriazol-4-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone (PubChem CID 87057155) has the molecular formula C25H32N6O4 and a molecular weight of 480.57 g/mol. Its IUPAC name is (3,3-dimethylmorpholin-4-yl)-[7-methoxy-1-(1-methyltriazol-4-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone.

Molecular Properties

Compound Name(3,3-dimethylmorpholin-4-yl)-[7-methoxy-1-(1-methyltriazol-4-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone
PubChem CID87057155
Molecular FormulaC25H32N6O4
Molecular Weight480.57 g/mol
Exact Mass480.25
IUPAC Name(3,3-dimethylmorpholin-4-yl)-[7-methoxy-1-(1-methyltriazol-4-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone
SMILESCOc1cc2c(cc1OC(C)C)-n1c(-c3cn(C)nn3)nc(C(=O)N3CCOCC3(C)C)c1CC2
InChIInChI=1S/C25H32N6O4/c1-15(2)35-21-12-19-16(11-20(21)33-6)7-8-18-22(24(32)30-9-10-34-14-25(30,3)4)26-23(31(18)19)17-13-29(5)28-27-17/h11-13,15H,7-10,14H2,1-6H3
InChIKeyPLCZKNQBIHBWGY-UHFFFAOYSA-N
XLogP2.81
TPSA96.53 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylmorpholin-4-yl)-[7-methoxy-1-(1-methyltriazol-4-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone?
The IUPAC name of (3,3-dimethylmorpholin-4-yl)-[7-methoxy-1-(1-methyltriazol-4-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone (CID 87057155) is (3,3-dimethylmorpholin-4-yl)-[7-methoxy-1-(1-methyltriazol-4-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone.
What is the SMILES notation for (3,3-dimethylmorpholin-4-yl)-[7-methoxy-1-(1-methyltriazol-4-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone?
The canonical SMILES for (3,3-dimethylmorpholin-4-yl)-[7-methoxy-1-(1-methyltriazol-4-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone is COc1cc2c(cc1OC(C)C)-n1c(-c3cn(C)nn3)nc(C(=O)N3CCOCC3(C)C)c1CC2.
What is the InChIKey of (3,3-dimethylmorpholin-4-yl)-[7-methoxy-1-(1-methyltriazol-4-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone?
The InChIKey is PLCZKNQBIHBWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O4/c1-15(2)35-21-12-19-16(11-20(21)33-6)7-8-18-22(24(32)30-9-10-34-14-25(30,3)4)26-23(31(18)19)17-13-29(5)28-27-17/h11-13,15H,7-10,14H2,1-6H3.
What are the key properties of (3,3-dimethylmorpholin-4-yl)-[7-methoxy-1-(1-methyltriazol-4-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone?
(3,3-dimethylmorpholin-4-yl)-[7-methoxy-1-(1-methyltriazol-4-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone has a molecular weight of 480.57 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylmorpholin-4-yl)-[7-methoxy-1-(1-methyltriazol-4-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone is sourced from PubChem (CID 87057155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).