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

C29H33N5O4 — CID 87057513

IUPAC(3,3-dimethylmorpholin-4-yl)-[1-(1H-indazol-7-yl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone
SMILESCOc1cc2c(cc1OC(C)C)-n1c(-c3cccc4cn[nH]c34)nc(C(=O)N3CCOCC3(C)C)c1CC2
InChIInChI=1S/C29H33N5O4/c1-17(2)38-24-14-22-18(13-23(24)36-5)9-10-21-26(28(35)33-11-12-37-16-29(33,3)4)31-27(34(21)22)20-8-6-7-19-15-30-32-25(19)20/h6-8,13-15,17H,9-12,16H2,1-5H3,(H,30,32)
InChIKeyGKMRRPQURSTTKD-UHFFFAOYSA-N
MW515.61 g/mol
LogP4.56
Rot. Bonds5

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

(3,3-dimethylmorpholin-4-yl)-[1-(1H-indazol-7-yl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone (PubChem CID 87057513) has the molecular formula C29H33N5O4 and a molecular weight of 515.61 g/mol. Its IUPAC name is (3,3-dimethylmorpholin-4-yl)-[1-(1H-indazol-7-yl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone.

Molecular Properties

Compound Name(3,3-dimethylmorpholin-4-yl)-[1-(1H-indazol-7-yl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone
PubChem CID87057513
Molecular FormulaC29H33N5O4
Molecular Weight515.61 g/mol
Exact Mass515.25
IUPAC Name(3,3-dimethylmorpholin-4-yl)-[1-(1H-indazol-7-yl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone
SMILESCOc1cc2c(cc1OC(C)C)-n1c(-c3cccc4cn[nH]c34)nc(C(=O)N3CCOCC3(C)C)c1CC2
InChIInChI=1S/C29H33N5O4/c1-17(2)38-24-14-22-18(13-23(24)36-5)9-10-21-26(28(35)33-11-12-37-16-29(33,3)4)31-27(34(21)22)20-8-6-7-19-15-30-32-25(19)20/h6-8,13-15,17H,9-12,16H2,1-5H3,(H,30,32)
InChIKeyGKMRRPQURSTTKD-UHFFFAOYSA-N
XLogP4.56
TPSA94.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.61
LogP ≤ 54.56
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)-[1-(1H-indazol-7-yl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone?
The IUPAC name of (3,3-dimethylmorpholin-4-yl)-[1-(1H-indazol-7-yl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone (CID 87057513) is (3,3-dimethylmorpholin-4-yl)-[1-(1H-indazol-7-yl)-7-methoxy-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)-[1-(1H-indazol-7-yl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone?
The canonical SMILES for (3,3-dimethylmorpholin-4-yl)-[1-(1H-indazol-7-yl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone is COc1cc2c(cc1OC(C)C)-n1c(-c3cccc4cn[nH]c34)nc(C(=O)N3CCOCC3(C)C)c1CC2.
What is the InChIKey of (3,3-dimethylmorpholin-4-yl)-[1-(1H-indazol-7-yl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone?
The InChIKey is GKMRRPQURSTTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O4/c1-17(2)38-24-14-22-18(13-23(24)36-5)9-10-21-26(28(35)33-11-12-37-16-29(33,3)4)31-27(34(21)22)20-8-6-7-19-15-30-32-25(19)20/h6-8,13-15,17H,9-12,16H2,1-5H3,(H,30,32).
What are the key properties of (3,3-dimethylmorpholin-4-yl)-[1-(1H-indazol-7-yl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone?
(3,3-dimethylmorpholin-4-yl)-[1-(1H-indazol-7-yl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone has a molecular weight of 515.61 g/mol, XLogP of 4.56, 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)-[1-(1H-indazol-7-yl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone is sourced from PubChem (CID 87057513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).