2,2-dimethyl-N-[2-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethyl]propanamide

C21H27N5O2 — CID 162785225

IUPAC2,2-dimethyl-N-[2-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethyl]propanamide
SMILESCC(C)Cn1cnc2c(NC(=O)CNC(=O)C(C)(C)C)nc3ccccc3c21
InChIInChI=1S/C21H27N5O2/c1-13(2)11-26-12-23-17-18(26)14-8-6-7-9-15(14)24-19(17)25-16(27)10-22-20(28)21(3,4)5/h6-9,12-13H,10-11H2,1-5H3,(H,22,28)(H,24,25,27)
InChIKeyBQLODXFBGGUDLV-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.34
Rot. Bonds5

About 2,2-dimethyl-N-[2-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethyl]propanamide

2,2-dimethyl-N-[2-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethyl]propanamide (PubChem CID 162785225) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethyl]propanamide
PubChem CID162785225
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name2,2-dimethyl-N-[2-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethyl]propanamide
SMILESCC(C)Cn1cnc2c(NC(=O)CNC(=O)C(C)(C)C)nc3ccccc3c21
InChIInChI=1S/C21H27N5O2/c1-13(2)11-26-12-23-17-18(26)14-8-6-7-9-15(14)24-19(17)25-16(27)10-22-20(28)21(3,4)5/h6-9,12-13H,10-11H2,1-5H3,(H,22,28)(H,24,25,27)
InChIKeyBQLODXFBGGUDLV-UHFFFAOYSA-N
XLogP3.34
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethyl]propanamide (CID 162785225) is 2,2-dimethyl-N-[2-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethyl]propanamide is CC(C)Cn1cnc2c(NC(=O)CNC(=O)C(C)(C)C)nc3ccccc3c21.
What is the InChIKey of 2,2-dimethyl-N-[2-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethyl]propanamide?
The InChIKey is BQLODXFBGGUDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-13(2)11-26-12-23-17-18(26)14-8-6-7-9-15(14)24-19(17)25-16(27)10-22-20(28)21(3,4)5/h6-9,12-13H,10-11H2,1-5H3,(H,22,28)(H,24,25,27).
What are the key properties of 2,2-dimethyl-N-[2-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethyl]propanamide?
2,2-dimethyl-N-[2-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethyl]propanamide has a molecular weight of 381.48 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethyl]propanamide is sourced from PubChem (CID 162785225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).