tert-butyl 4-methyl-5-(pyrrolidine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate

C22H25N3O3 — CID 21220800

IUPACtert-butyl 4-methyl-5-(pyrrolidine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate
SMILESCc1c(C(=O)N2CCCC2)c2ccccc2n2cnc(C(=O)OC(C)(C)C)c12
InChIInChI=1S/C22H25N3O3/c1-14-17(20(26)24-11-7-8-12-24)15-9-5-6-10-16(15)25-13-23-18(19(14)25)21(27)28-22(2,3)4/h5-6,9-10,13H,7-8,11-12H2,1-4H3
InChIKeyZAJZMKWQEGJOHS-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.99
Rot. Bonds2

About tert-butyl 4-methyl-5-(pyrrolidine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate

tert-butyl 4-methyl-5-(pyrrolidine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate (PubChem CID 21220800) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is tert-butyl 4-methyl-5-(pyrrolidine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methyl-5-(pyrrolidine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate
PubChem CID21220800
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Nametert-butyl 4-methyl-5-(pyrrolidine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate
SMILESCc1c(C(=O)N2CCCC2)c2ccccc2n2cnc(C(=O)OC(C)(C)C)c12
InChIInChI=1S/C22H25N3O3/c1-14-17(20(26)24-11-7-8-12-24)15-9-5-6-10-16(15)25-13-23-18(19(14)25)21(27)28-22(2,3)4/h5-6,9-10,13H,7-8,11-12H2,1-4H3
InChIKeyZAJZMKWQEGJOHS-UHFFFAOYSA-N
XLogP3.99
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-5-(pyrrolidine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate?
The IUPAC name of tert-butyl 4-methyl-5-(pyrrolidine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate (CID 21220800) is tert-butyl 4-methyl-5-(pyrrolidine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate.
What is the SMILES notation for tert-butyl 4-methyl-5-(pyrrolidine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate?
The canonical SMILES for tert-butyl 4-methyl-5-(pyrrolidine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate is Cc1c(C(=O)N2CCCC2)c2ccccc2n2cnc(C(=O)OC(C)(C)C)c12.
What is the InChIKey of tert-butyl 4-methyl-5-(pyrrolidine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate?
The InChIKey is ZAJZMKWQEGJOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-14-17(20(26)24-11-7-8-12-24)15-9-5-6-10-16(15)25-13-23-18(19(14)25)21(27)28-22(2,3)4/h5-6,9-10,13H,7-8,11-12H2,1-4H3.
What are the key properties of tert-butyl 4-methyl-5-(pyrrolidine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate?
tert-butyl 4-methyl-5-(pyrrolidine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate has a molecular weight of 379.46 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methyl-5-(pyrrolidine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate is sourced from PubChem (CID 21220800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).