N-tert-butyl-N-methylimidazo[1,5-a]quinoline-3-carboxamide

C17H19N3O — CID 141444315

IUPACN-tert-butyl-N-methylimidazo[1,5-a]quinoline-3-carboxamide
SMILESCN(C(=O)c1ncn2c1ccc1ccccc12)C(C)(C)C
InChIInChI=1S/C17H19N3O/c1-17(2,3)19(4)16(21)15-14-10-9-12-7-5-6-8-13(12)20(14)11-18-15/h5-11H,1-4H3
InChIKeyBDWMNQDOGBXOBK-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.36
Rot. Bonds1

About N-tert-butyl-N-methylimidazo[1,5-a]quinoline-3-carboxamide

N-tert-butyl-N-methylimidazo[1,5-a]quinoline-3-carboxamide (PubChem CID 141444315) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-tert-butyl-N-methylimidazo[1,5-a]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-N-methylimidazo[1,5-a]quinoline-3-carboxamide
PubChem CID141444315
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-tert-butyl-N-methylimidazo[1,5-a]quinoline-3-carboxamide
SMILESCN(C(=O)c1ncn2c1ccc1ccccc12)C(C)(C)C
InChIInChI=1S/C17H19N3O/c1-17(2,3)19(4)16(21)15-14-10-9-12-7-5-6-8-13(12)20(14)11-18-15/h5-11H,1-4H3
InChIKeyBDWMNQDOGBXOBK-UHFFFAOYSA-N
XLogP3.36
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-methylimidazo[1,5-a]quinoline-3-carboxamide?
The IUPAC name of N-tert-butyl-N-methylimidazo[1,5-a]quinoline-3-carboxamide (CID 141444315) is N-tert-butyl-N-methylimidazo[1,5-a]quinoline-3-carboxamide.
What is the SMILES notation for N-tert-butyl-N-methylimidazo[1,5-a]quinoline-3-carboxamide?
The canonical SMILES for N-tert-butyl-N-methylimidazo[1,5-a]quinoline-3-carboxamide is CN(C(=O)c1ncn2c1ccc1ccccc12)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-methylimidazo[1,5-a]quinoline-3-carboxamide?
The InChIKey is BDWMNQDOGBXOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-17(2,3)19(4)16(21)15-14-10-9-12-7-5-6-8-13(12)20(14)11-18-15/h5-11H,1-4H3.
What are the key properties of N-tert-butyl-N-methylimidazo[1,5-a]quinoline-3-carboxamide?
N-tert-butyl-N-methylimidazo[1,5-a]quinoline-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methylimidazo[1,5-a]quinoline-3-carboxamide is sourced from PubChem (CID 141444315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).