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

C27H35N5O4 — CID 87057419

IUPAC(3,3-dimethylmorpholin-4-yl)-[1-(2-ethylpyrazol-3-yl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone
SMILESCCn1nccc1-c1nc(C(=O)N2CCOCC2(C)C)c2n1-c1cc(OC(C)C)c(OC)cc1CC2
InChIInChI=1S/C27H35N5O4/c1-7-31-20(10-11-28-31)25-29-24(26(33)30-12-13-35-16-27(30,4)5)19-9-8-18-14-22(34-6)23(36-17(2)3)15-21(18)32(19)25/h10-11,14-15,17H,7-9,12-13,16H2,1-6H3
InChIKeyGXBMSIQSAAFFOD-UHFFFAOYSA-N
MW493.61 g/mol
LogP3.90
Rot. Bonds6

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

(3,3-dimethylmorpholin-4-yl)-[1-(2-ethylpyrazol-3-yl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone (PubChem CID 87057419) has the molecular formula C27H35N5O4 and a molecular weight of 493.61 g/mol. Its IUPAC name is (3,3-dimethylmorpholin-4-yl)-[1-(2-ethylpyrazol-3-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-(2-ethylpyrazol-3-yl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone
PubChem CID87057419
Molecular FormulaC27H35N5O4
Molecular Weight493.61 g/mol
Exact Mass493.27
IUPAC Name(3,3-dimethylmorpholin-4-yl)-[1-(2-ethylpyrazol-3-yl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone
SMILESCCn1nccc1-c1nc(C(=O)N2CCOCC2(C)C)c2n1-c1cc(OC(C)C)c(OC)cc1CC2
InChIInChI=1S/C27H35N5O4/c1-7-31-20(10-11-28-31)25-29-24(26(33)30-12-13-35-16-27(30,4)5)19-9-8-18-14-22(34-6)23(36-17(2)3)15-21(18)32(19)25/h10-11,14-15,17H,7-9,12-13,16H2,1-6H3
InChIKeyGXBMSIQSAAFFOD-UHFFFAOYSA-N
XLogP3.90
TPSA83.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylmorpholin-4-yl)-[1-(2-ethylpyrazol-3-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-(2-ethylpyrazol-3-yl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone (CID 87057419) is (3,3-dimethylmorpholin-4-yl)-[1-(2-ethylpyrazol-3-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-(2-ethylpyrazol-3-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-(2-ethylpyrazol-3-yl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone is CCn1nccc1-c1nc(C(=O)N2CCOCC2(C)C)c2n1-c1cc(OC(C)C)c(OC)cc1CC2.
What is the InChIKey of (3,3-dimethylmorpholin-4-yl)-[1-(2-ethylpyrazol-3-yl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone?
The InChIKey is GXBMSIQSAAFFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O4/c1-7-31-20(10-11-28-31)25-29-24(26(33)30-12-13-35-16-27(30,4)5)19-9-8-18-14-22(34-6)23(36-17(2)3)15-21(18)32(19)25/h10-11,14-15,17H,7-9,12-13,16H2,1-6H3.
What are the key properties of (3,3-dimethylmorpholin-4-yl)-[1-(2-ethylpyrazol-3-yl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone?
(3,3-dimethylmorpholin-4-yl)-[1-(2-ethylpyrazol-3-yl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone has a molecular weight of 493.61 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylmorpholin-4-yl)-[1-(2-ethylpyrazol-3-yl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone is sourced from PubChem (CID 87057419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).