1-bromo-N-tert-butyl-7-methoxy-N-methyl-8-(4-methylpentan-2-yloxy)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide

C24H34BrN3O3 — CID 163751573

IUPAC1-bromo-N-tert-butyl-7-methoxy-N-methyl-8-(4-methylpentan-2-yloxy)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide
SMILESCOc1cc2c(cc1OC(C)CC(C)C)-n1c(Br)nc(C(=O)N(C)C(C)(C)C)c1CC2
InChIInChI=1S/C24H34BrN3O3/c1-14(2)11-15(3)31-20-13-18-16(12-19(20)30-8)9-10-17-21(26-23(25)28(17)18)22(29)27(7)24(4,5)6/h12-15H,9-11H2,1-8H3
InChIKeyLQKPTTPGCJOWAW-UHFFFAOYSA-N
MW492.46 g/mol
LogP5.43
Rot. Bonds6

About 1-bromo-N-tert-butyl-7-methoxy-N-methyl-8-(4-methylpentan-2-yloxy)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide

1-bromo-N-tert-butyl-7-methoxy-N-methyl-8-(4-methylpentan-2-yloxy)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide (PubChem CID 163751573) has the molecular formula C24H34BrN3O3 and a molecular weight of 492.46 g/mol. Its IUPAC name is 1-bromo-N-tert-butyl-7-methoxy-N-methyl-8-(4-methylpentan-2-yloxy)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide.

Molecular Properties

Compound Name1-bromo-N-tert-butyl-7-methoxy-N-methyl-8-(4-methylpentan-2-yloxy)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide
PubChem CID163751573
Molecular FormulaC24H34BrN3O3
Molecular Weight492.46 g/mol
Exact Mass491.18
IUPAC Name1-bromo-N-tert-butyl-7-methoxy-N-methyl-8-(4-methylpentan-2-yloxy)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide
SMILESCOc1cc2c(cc1OC(C)CC(C)C)-n1c(Br)nc(C(=O)N(C)C(C)(C)C)c1CC2
InChIInChI=1S/C24H34BrN3O3/c1-14(2)11-15(3)31-20-13-18-16(12-19(20)30-8)9-10-17-21(26-23(25)28(17)18)22(29)27(7)24(4,5)6/h12-15H,9-11H2,1-8H3
InChIKeyLQKPTTPGCJOWAW-UHFFFAOYSA-N
XLogP5.43
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.46
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-tert-butyl-7-methoxy-N-methyl-8-(4-methylpentan-2-yloxy)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide?
The IUPAC name of 1-bromo-N-tert-butyl-7-methoxy-N-methyl-8-(4-methylpentan-2-yloxy)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide (CID 163751573) is 1-bromo-N-tert-butyl-7-methoxy-N-methyl-8-(4-methylpentan-2-yloxy)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide.
What is the SMILES notation for 1-bromo-N-tert-butyl-7-methoxy-N-methyl-8-(4-methylpentan-2-yloxy)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide?
The canonical SMILES for 1-bromo-N-tert-butyl-7-methoxy-N-methyl-8-(4-methylpentan-2-yloxy)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide is COc1cc2c(cc1OC(C)CC(C)C)-n1c(Br)nc(C(=O)N(C)C(C)(C)C)c1CC2.
What is the InChIKey of 1-bromo-N-tert-butyl-7-methoxy-N-methyl-8-(4-methylpentan-2-yloxy)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide?
The InChIKey is LQKPTTPGCJOWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34BrN3O3/c1-14(2)11-15(3)31-20-13-18-16(12-19(20)30-8)9-10-17-21(26-23(25)28(17)18)22(29)27(7)24(4,5)6/h12-15H,9-11H2,1-8H3.
What are the key properties of 1-bromo-N-tert-butyl-7-methoxy-N-methyl-8-(4-methylpentan-2-yloxy)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide?
1-bromo-N-tert-butyl-7-methoxy-N-methyl-8-(4-methylpentan-2-yloxy)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide has a molecular weight of 492.46 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-tert-butyl-7-methoxy-N-methyl-8-(4-methylpentan-2-yloxy)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide is sourced from PubChem (CID 163751573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).