N-(2,2-dimethylpropyl)-8-methoxy-9-morpholin-4-yl-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide

C26H32N4O3S — CID 67529321

IUPACN-(2,2-dimethylpropyl)-8-methoxy-9-morpholin-4-yl-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide
SMILESCOc1cc2c(cc1N1CCOCC1)-c1c(-c3cccs3)nc(C(=O)NCC(C)(C)C)n1CC2
InChIInChI=1S/C26H32N4O3S/c1-26(2,3)16-27-25(31)24-28-22(21-6-5-13-34-21)23-18-15-19(29-9-11-33-12-10-29)20(32-4)14-17(18)7-8-30(23)24/h5-6,13-15H,7-12,16H2,1-4H3,(H,27,31)
InChIKeyVJDDKBZZOMKURI-UHFFFAOYSA-N
MW480.63 g/mol
LogP4.46
Rot. Bonds5

About N-(2,2-dimethylpropyl)-8-methoxy-9-morpholin-4-yl-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide

N-(2,2-dimethylpropyl)-8-methoxy-9-morpholin-4-yl-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide (PubChem CID 67529321) has the molecular formula C26H32N4O3S and a molecular weight of 480.63 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-8-methoxy-9-morpholin-4-yl-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-8-methoxy-9-morpholin-4-yl-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide
PubChem CID67529321
Molecular FormulaC26H32N4O3S
Molecular Weight480.63 g/mol
Exact Mass480.22
IUPAC NameN-(2,2-dimethylpropyl)-8-methoxy-9-morpholin-4-yl-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide
SMILESCOc1cc2c(cc1N1CCOCC1)-c1c(-c3cccs3)nc(C(=O)NCC(C)(C)C)n1CC2
InChIInChI=1S/C26H32N4O3S/c1-26(2,3)16-27-25(31)24-28-22(21-6-5-13-34-21)23-18-15-19(29-9-11-33-12-10-29)20(32-4)14-17(18)7-8-30(23)24/h5-6,13-15H,7-12,16H2,1-4H3,(H,27,31)
InChIKeyVJDDKBZZOMKURI-UHFFFAOYSA-N
XLogP4.46
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2,2-dimethylpropyl)-8-methoxy-9-morpholin-4-yl-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide with MolForge

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Related Compounds

N-(2,2-dimethylpropyl)-8-methoxy-9-morpholin-4-yl-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide
CID 66925728
8-methoxy-9-morpholin-4-yl-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid
CID 142763656
N-tert-butyl-8-methoxy-N-methyl-1-thiophen-2-yl-9-(triphenylsilylamino)-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide
CID 59626600
N-tert-butyl-N-ethyl-8-methoxy-9-propan-2-yloxy-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide
CID 67530240
N-(2,2-dimethylpropyl)-9-(hydroxymethyl)-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide
CID 66925772
9-[(2-bromoacetyl)amino]-N-tert-butyl-8-methoxy-N-methyl-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide
CID 59626585
[3-[tert-butyl(methyl)carbamoyl]-8-methoxy-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinolin-9-yl] trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate
CID 161271620
N-tert-butyl-9-(2-cyanophenyl)-8-methoxy-N-methyl-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide
CID 67529861
N-tert-butyl-10-fluoro-8-methoxy-N-methyl-9-(2-methylbutyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide
CID 70824905
4-tert-butyl-15-methoxy-N-(2-morpholin-4-ylethyl)-3-oxo-10-thiophen-2-yl-1,4-diazatetracyclo[9.8.0.02,9.012,17]nonadeca-2(9),10,12,14,16-pentaene-14-carboxamide
CID 66919918
13-tert-butyl-5-methoxy-4-(morpholine-4-carbonyl)-18-thiophen-2-yl-10,13-diazatetracyclo[8.8.0.02,7.011,17]octadeca-1(18),2,4,6,11(17)-pentaen-12-one
CID 50906140
methyl N-[2-[[3-[tert-butyl(methyl)carbamoyl]-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinolin-9-yl]oxy]ethyl]carbamate
CID 66925703

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-8-methoxy-9-morpholin-4-yl-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-8-methoxy-9-morpholin-4-yl-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide (CID 67529321) is N-(2,2-dimethylpropyl)-8-methoxy-9-morpholin-4-yl-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-8-methoxy-9-morpholin-4-yl-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-8-methoxy-9-morpholin-4-yl-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide is COc1cc2c(cc1N1CCOCC1)-c1c(-c3cccs3)nc(C(=O)NCC(C)(C)C)n1CC2.
What is the InChIKey of N-(2,2-dimethylpropyl)-8-methoxy-9-morpholin-4-yl-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide?
The InChIKey is VJDDKBZZOMKURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3S/c1-26(2,3)16-27-25(31)24-28-22(21-6-5-13-34-21)23-18-15-19(29-9-11-33-12-10-29)20(32-4)14-17(18)7-8-30(23)24/h5-6,13-15H,7-12,16H2,1-4H3,(H,27,31).
What are the key properties of N-(2,2-dimethylpropyl)-8-methoxy-9-morpholin-4-yl-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide?
N-(2,2-dimethylpropyl)-8-methoxy-9-morpholin-4-yl-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide has a molecular weight of 480.63 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-8-methoxy-9-morpholin-4-yl-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide is sourced from PubChem (CID 67529321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).