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

C25H31N5O4 — CID 87057239

IUPAC(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-propan-2-yloxy-1-(1H-pyrazol-5-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone
SMILESCOc1cc2c(cc1OC(C)C)-n1c(-c3ccn[nH]3)nc(C(=O)N3CCOCC3(C)C)c1CC2
InChIInChI=1S/C25H31N5O4/c1-15(2)34-21-13-19-16(12-20(21)32-5)6-7-18-22(24(31)29-10-11-33-14-25(29,3)4)27-23(30(18)19)17-8-9-26-28-17/h8-9,12-13,15H,6-7,10-11,14H2,1-5H3,(H,26,28)
InChIKeyWDFXQQBKKPJAJC-UHFFFAOYSA-N
MW465.55 g/mol
LogP3.41
Rot. Bonds5

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

(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-propan-2-yloxy-1-(1H-pyrazol-5-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone (PubChem CID 87057239) has the molecular formula C25H31N5O4 and a molecular weight of 465.55 g/mol. Its IUPAC name is (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-propan-2-yloxy-1-(1H-pyrazol-5-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone.

Molecular Properties

Compound Name(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-propan-2-yloxy-1-(1H-pyrazol-5-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone
PubChem CID87057239
Molecular FormulaC25H31N5O4
Molecular Weight465.55 g/mol
Exact Mass465.24
IUPAC Name(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-propan-2-yloxy-1-(1H-pyrazol-5-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone
SMILESCOc1cc2c(cc1OC(C)C)-n1c(-c3ccn[nH]3)nc(C(=O)N3CCOCC3(C)C)c1CC2
InChIInChI=1S/C25H31N5O4/c1-15(2)34-21-13-19-16(12-20(21)32-5)6-7-18-22(24(31)29-10-11-33-14-25(29,3)4)27-23(30(18)19)17-8-9-26-28-17/h8-9,12-13,15H,6-7,10-11,14H2,1-5H3,(H,26,28)
InChIKeyWDFXQQBKKPJAJC-UHFFFAOYSA-N
XLogP3.41
TPSA94.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-propan-2-yloxy-1-(1H-pyrazol-5-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone?
The IUPAC name of (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-propan-2-yloxy-1-(1H-pyrazol-5-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone (CID 87057239) is (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-propan-2-yloxy-1-(1H-pyrazol-5-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone.
What is the SMILES notation for (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-propan-2-yloxy-1-(1H-pyrazol-5-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone?
The canonical SMILES for (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-propan-2-yloxy-1-(1H-pyrazol-5-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone is COc1cc2c(cc1OC(C)C)-n1c(-c3ccn[nH]3)nc(C(=O)N3CCOCC3(C)C)c1CC2.
What is the InChIKey of (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-propan-2-yloxy-1-(1H-pyrazol-5-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone?
The InChIKey is WDFXQQBKKPJAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4/c1-15(2)34-21-13-19-16(12-20(21)32-5)6-7-18-22(24(31)29-10-11-33-14-25(29,3)4)27-23(30(18)19)17-8-9-26-28-17/h8-9,12-13,15H,6-7,10-11,14H2,1-5H3,(H,26,28).
What are the key properties of (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-propan-2-yloxy-1-(1H-pyrazol-5-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone?
(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-propan-2-yloxy-1-(1H-pyrazol-5-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone has a molecular weight of 465.55 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-propan-2-yloxy-1-(1H-pyrazol-5-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone is sourced from PubChem (CID 87057239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).