1-[4-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]phenyl]ethanone

C22H22N4O — CID 121000271

IUPAC1-[4-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2nc3ccccc3c3c2ncn3CC(C)C)cc1
InChIInChI=1S/C22H22N4O/c1-14(2)12-26-13-23-20-21(26)18-6-4-5-7-19(18)25-22(20)24-17-10-8-16(9-11-17)15(3)27/h4-11,13-14H,12H2,1-3H3,(H,24,25)
InChIKeyRXQASGZYQBMCPZ-UHFFFAOYSA-N
MW358.45 g/mol
LogP5.19
Rot. Bonds5

About 1-[4-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]phenyl]ethanone

1-[4-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]phenyl]ethanone (PubChem CID 121000271) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-[4-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]phenyl]ethanone
PubChem CID121000271
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name1-[4-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2nc3ccccc3c3c2ncn3CC(C)C)cc1
InChIInChI=1S/C22H22N4O/c1-14(2)12-26-13-23-20-21(26)18-6-4-5-7-19(18)25-22(20)24-17-10-8-16(9-11-17)15(3)27/h4-11,13-14H,12H2,1-3H3,(H,24,25)
InChIKeyRXQASGZYQBMCPZ-UHFFFAOYSA-N
XLogP5.19
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.45
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[4-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]phenyl]ethanone (CID 121000271) is 1-[4-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]phenyl]ethanone is CC(=O)c1ccc(Nc2nc3ccccc3c3c2ncn3CC(C)C)cc1.
What is the InChIKey of 1-[4-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]phenyl]ethanone?
The InChIKey is RXQASGZYQBMCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-14(2)12-26-13-23-20-21(26)18-6-4-5-7-19(18)25-22(20)24-17-10-8-16(9-11-17)15(3)27/h4-11,13-14H,12H2,1-3H3,(H,24,25).
What are the key properties of 1-[4-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]phenyl]ethanone?
1-[4-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]phenyl]ethanone has a molecular weight of 358.45 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]phenyl]ethanone is sourced from PubChem (CID 121000271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).