N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]heptanamide

C21H28N4O — CID 162361130

IUPACN-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]heptanamide
SMILESCCCCCCC(=O)Nc1nc2ccccc2c2c1ncn2CC(C)C
InChIInChI=1S/C21H28N4O/c1-4-5-6-7-12-18(26)24-21-19-20(25(14-22-19)13-15(2)3)16-10-8-9-11-17(16)23-21/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,23,24,26)
InChIKeyWNGGLZWYFGMAED-UHFFFAOYSA-N
MW352.48 g/mol
LogP5.15
Rot. Bonds8

About N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]heptanamide

N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]heptanamide (PubChem CID 162361130) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]heptanamide.

Molecular Properties

Compound NameN-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]heptanamide
PubChem CID162361130
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]heptanamide
SMILESCCCCCCC(=O)Nc1nc2ccccc2c2c1ncn2CC(C)C
InChIInChI=1S/C21H28N4O/c1-4-5-6-7-12-18(26)24-21-19-20(25(14-22-19)13-15(2)3)16-10-8-9-11-17(16)23-21/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,23,24,26)
InChIKeyWNGGLZWYFGMAED-UHFFFAOYSA-N
XLogP5.15
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]heptanamide?
The IUPAC name of N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]heptanamide (CID 162361130) is N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]heptanamide.
What is the SMILES notation for N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]heptanamide?
The canonical SMILES for N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]heptanamide is CCCCCCC(=O)Nc1nc2ccccc2c2c1ncn2CC(C)C.
What is the InChIKey of N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]heptanamide?
The InChIKey is WNGGLZWYFGMAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-4-5-6-7-12-18(26)24-21-19-20(25(14-22-19)13-15(2)3)16-10-8-9-11-17(16)23-21/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,23,24,26).
What are the key properties of N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]heptanamide?
N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]heptanamide has a molecular weight of 352.48 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]heptanamide is sourced from PubChem (CID 162361130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).