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

C28H30N4O3S — CID 121363235

IUPAC(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(1-methylpyrrol-3-yl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone
SMILESCOc1cc2c(cc1-c1ccn(C)c1)-n1c(-c3cccs3)nc(C(=O)N3CCOCC3(C)C)c1CC2
InChIInChI=1S/C28H30N4O3S/c1-28(2)17-35-12-11-31(28)27(33)25-21-8-7-18-14-23(34-4)20(19-9-10-30(3)16-19)15-22(18)32(21)26(29-25)24-6-5-13-36-24/h5-6,9-10,13-16H,7-8,11-12,17H2,1-4H3
InChIKeyVVOVZJOJIBBAIL-UHFFFAOYSA-N
MW502.64 g/mol
LogP4.96
Rot. Bonds4

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

(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(1-methylpyrrol-3-yl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone (PubChem CID 121363235) has the molecular formula C28H30N4O3S and a molecular weight of 502.64 g/mol. Its IUPAC name is (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(1-methylpyrrol-3-yl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone.

Molecular Properties

Compound Name(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(1-methylpyrrol-3-yl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone
PubChem CID121363235
Molecular FormulaC28H30N4O3S
Molecular Weight502.64 g/mol
Exact Mass502.20
IUPAC Name(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(1-methylpyrrol-3-yl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone
SMILESCOc1cc2c(cc1-c1ccn(C)c1)-n1c(-c3cccs3)nc(C(=O)N3CCOCC3(C)C)c1CC2
InChIInChI=1S/C28H30N4O3S/c1-28(2)17-35-12-11-31(28)27(33)25-21-8-7-18-14-23(34-4)20(19-9-10-30(3)16-19)15-22(18)32(21)26(29-25)24-6-5-13-36-24/h5-6,9-10,13-16H,7-8,11-12,17H2,1-4H3
InChIKeyVVOVZJOJIBBAIL-UHFFFAOYSA-N
XLogP4.96
TPSA61.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.64
LogP ≤ 54.96
H-Bond Donors ≤ 50
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-(1-methylpyrrol-3-yl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone?
The IUPAC name of (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(1-methylpyrrol-3-yl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone (CID 121363235) is (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(1-methylpyrrol-3-yl)-1-thiophen-2-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-(1-methylpyrrol-3-yl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone?
The canonical SMILES for (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(1-methylpyrrol-3-yl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone is COc1cc2c(cc1-c1ccn(C)c1)-n1c(-c3cccs3)nc(C(=O)N3CCOCC3(C)C)c1CC2.
What is the InChIKey of (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(1-methylpyrrol-3-yl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone?
The InChIKey is VVOVZJOJIBBAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3S/c1-28(2)17-35-12-11-31(28)27(33)25-21-8-7-18-14-23(34-4)20(19-9-10-30(3)16-19)15-22(18)32(21)26(29-25)24-6-5-13-36-24/h5-6,9-10,13-16H,7-8,11-12,17H2,1-4H3.
What are the key properties of (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(1-methylpyrrol-3-yl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone?
(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(1-methylpyrrol-3-yl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone has a molecular weight of 502.64 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 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-(1-methylpyrrol-3-yl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone is sourced from PubChem (CID 121363235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).