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

C26H33N3O3S — CID 87057512

IUPACN-tert-butyl-7-methoxy-N-methyl-1-(5-methylthiophen-2-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide
SMILESCOc1cc2c(cc1OC(C)C)-n1c(-c3ccc(C)s3)nc(C(=O)N(C)C(C)(C)C)c1CC2
InChIInChI=1S/C26H33N3O3S/c1-15(2)32-21-14-19-17(13-20(21)31-8)10-11-18-23(25(30)28(7)26(4,5)6)27-24(29(18)19)22-12-9-16(3)33-22/h9,12-15H,10-11H2,1-8H3
InChIKeyUCOPCAMGOBBVOH-UHFFFAOYSA-N
MW467.64 g/mol
LogP5.67
Rot. Bonds5

About 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

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 (PubChem CID 87057512) has the molecular formula C26H33N3O3S and a molecular weight of 467.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-tert-butyl-7-methoxy-N-methyl-1-(5-methylthiophen-2-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide
PubChem CID87057512
Molecular FormulaC26H33N3O3S
Molecular Weight467.64 g/mol
Exact Mass467.22
IUPAC NameN-tert-butyl-7-methoxy-N-methyl-1-(5-methylthiophen-2-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide
SMILESCOc1cc2c(cc1OC(C)C)-n1c(-c3ccc(C)s3)nc(C(=O)N(C)C(C)(C)C)c1CC2
InChIInChI=1S/C26H33N3O3S/c1-15(2)32-21-14-19-17(13-20(21)31-8)10-11-18-23(25(30)28(7)26(4,5)6)27-24(29(18)19)22-12-9-16(3)33-22/h9,12-15H,10-11H2,1-8H3
InChIKeyUCOPCAMGOBBVOH-UHFFFAOYSA-N
XLogP5.67
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.64
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc2c(cc1OC(C)C)-n1c(-c3ccc(C)s3)nc(C(=O)N(C)C(C)(C)C)c1CC2.
What is the InChIKey of 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?
The InChIKey is UCOPCAMGOBBVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3S/c1-15(2)32-21-14-19-17(13-20(21)31-8)10-11-18-23(25(30)28(7)26(4,5)6)27-24(29(18)19)22-12-9-16(3)33-22/h9,12-15H,10-11H2,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 467.64 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 87057512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).