N-tert-butyl-7-methoxy-N-methyl-8-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide

C24H25N5O4S — CID 87056841

IUPACN-tert-butyl-7-methoxy-N-methyl-8-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide
SMILESCOc1cc2c(cc1-c1n[nH]c(=O)o1)-n1c(-c3cccs3)nc(C(=O)N(C)C(C)(C)C)c1CC2
InChIInChI=1S/C24H25N5O4S/c1-24(2,3)28(4)22(30)19-15-9-8-13-11-17(32-5)14(21-26-27-23(31)33-21)12-16(13)29(15)20(25-19)18-7-6-10-34-18/h6-7,10-12H,8-9H2,1-5H3,(H,27,31)
InChIKeyGQSOTKCIHMCBKU-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.92
Rot. Bonds4

About N-tert-butyl-7-methoxy-N-methyl-8-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide

N-tert-butyl-7-methoxy-N-methyl-8-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide (PubChem CID 87056841) has the molecular formula C24H25N5O4S and a molecular weight of 479.56 g/mol. Its IUPAC name is N-tert-butyl-7-methoxy-N-methyl-8-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-7-methoxy-N-methyl-8-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide
PubChem CID87056841
Molecular FormulaC24H25N5O4S
Molecular Weight479.56 g/mol
Exact Mass479.16
IUPAC NameN-tert-butyl-7-methoxy-N-methyl-8-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide
SMILESCOc1cc2c(cc1-c1n[nH]c(=O)o1)-n1c(-c3cccs3)nc(C(=O)N(C)C(C)(C)C)c1CC2
InChIInChI=1S/C24H25N5O4S/c1-24(2,3)28(4)22(30)19-15-9-8-13-11-17(32-5)14(21-26-27-23(31)33-21)12-16(13)29(15)20(25-19)18-7-6-10-34-18/h6-7,10-12H,8-9H2,1-5H3,(H,27,31)
InChIKeyGQSOTKCIHMCBKU-UHFFFAOYSA-N
XLogP3.92
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-tert-butyl-7-methoxy-N-methyl-8-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide with MolForge

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Related Compounds

N-tert-butyl-7-methoxy-N-methyl-1-(5-methylthiophen-2-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide
CID 87057512
[3-(1,1-dihydroxyethoxy)pyrrolidin-1-yl]-[7-methoxy-8-(2-methylpropyl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone
CID 144766500
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
ethyl 8-amino-7-methoxy-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate;ethyl 7-methoxy-8-(2-methylpropanoylamino)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate;2-methylpropanoyl chloride
CID 159929160
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
N-tert-butyl-8-methoxy-N-methyl-1-thiophen-2-yl-9-(triphenylsilylamino)-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide
CID 59626600
[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
tert-butyl 2-[3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-8-(2-methylpropyl)-4,5-dihydroimidazo[1,5-a]quinolin-1-yl]pyrrole-1-carboxylate;N-tert-butyl-7-methoxy-N-methyl-1-(1-methylpiperidin-4-yl)-8-(2-methylpropyl)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide;N-tert-butyl-7-methoxy-N-methyl-8-(2-methylpropyl)-1-(1H-pyrazol-4-yl)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide;N-(1-hydroxy-2-methylpropan-2-yl)-7-methoxy-8-(2-methylpropyl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide;7-methoxy-N-methyl-8-(2-methylpropyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide
CID 159653203
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
5-(3-methoxythiophen-2-yl)-3H-1,3,4-oxadiazol-2-one
CID 81128699
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
N-tert-butyl-1-(2-chlorophenyl)-7-methoxy-N-methyl-8-pyridin-4-yl-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 50903227

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-7-methoxy-N-methyl-8-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide?
The IUPAC name of N-tert-butyl-7-methoxy-N-methyl-8-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide (CID 87056841) is N-tert-butyl-7-methoxy-N-methyl-8-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide.
What is the SMILES notation for N-tert-butyl-7-methoxy-N-methyl-8-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide?
The canonical SMILES for N-tert-butyl-7-methoxy-N-methyl-8-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide is COc1cc2c(cc1-c1n[nH]c(=O)o1)-n1c(-c3cccs3)nc(C(=O)N(C)C(C)(C)C)c1CC2.
What is the InChIKey of N-tert-butyl-7-methoxy-N-methyl-8-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide?
The InChIKey is GQSOTKCIHMCBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4S/c1-24(2,3)28(4)22(30)19-15-9-8-13-11-17(32-5)14(21-26-27-23(31)33-21)12-16(13)29(15)20(25-19)18-7-6-10-34-18/h6-7,10-12H,8-9H2,1-5H3,(H,27,31).
What are the key properties of N-tert-butyl-7-methoxy-N-methyl-8-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide?
N-tert-butyl-7-methoxy-N-methyl-8-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide has a molecular weight of 479.56 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-7-methoxy-N-methyl-8-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide is sourced from PubChem (CID 87056841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).