1-(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)-2-methylhydrazine

C22H25N5 — CID 126700153

IUPAC1-(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)-2-methylhydrazine
SMILESCCCCc1nc2c(NNC)nc3ccccc3c2n1Cc1ccccc1
InChIInChI=1S/C22H25N5/c1-3-4-14-19-25-20-21(27(19)15-16-10-6-5-7-11-16)17-12-8-9-13-18(17)24-22(20)26-23-2/h5-13,23H,3-4,14-15H2,1-2H3,(H,24,26)
InChIKeyCCZIUKNXSRXXKG-UHFFFAOYSA-N
MW359.48 g/mol
LogP4.52
Rot. Bonds7

About 1-(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)-2-methylhydrazine

1-(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)-2-methylhydrazine (PubChem CID 126700153) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is 1-(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)-2-methylhydrazine.

Molecular Properties

Compound Name1-(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)-2-methylhydrazine
PubChem CID126700153
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC Name1-(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)-2-methylhydrazine
SMILESCCCCc1nc2c(NNC)nc3ccccc3c2n1Cc1ccccc1
InChIInChI=1S/C22H25N5/c1-3-4-14-19-25-20-21(27(19)15-16-10-6-5-7-11-16)17-12-8-9-13-18(17)24-22(20)26-23-2/h5-13,23H,3-4,14-15H2,1-2H3,(H,24,26)
InChIKeyCCZIUKNXSRXXKG-UHFFFAOYSA-N
XLogP4.52
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)hydrazine;bis(2,2,2-trifluoroacetic acid)
CID 46831373
2-butyl-1-(2,2-dimethylpropyl)-N-methylimidazo[4,5-c]quinolin-4-amine
CID 167067037
2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 134510359
N-tert-butyl-2-butyl-1-[[4-[(tridecylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 138645006
N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]tetradecanamide
CID 138645098
N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]tridecanamide
CID 138644999
N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]octanamide
CID 138645094
2-butyl-1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 177376197
N-tert-butyl-2-butyl-1-[[4-[(2-cyclopropylethylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 138645277
N-tert-butyl-2-butyl-1-[[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 138645221
N-tert-butyl-2-butyl-1-[[4-[[2-(1-methylcyclopropyl)ethylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 138645015
2-butyl-1-[[4-[(nonadecylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 138618993

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)-2-methylhydrazine?
The IUPAC name of 1-(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)-2-methylhydrazine (CID 126700153) is 1-(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)-2-methylhydrazine.
What is the SMILES notation for 1-(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)-2-methylhydrazine?
The canonical SMILES for 1-(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)-2-methylhydrazine is CCCCc1nc2c(NNC)nc3ccccc3c2n1Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)-2-methylhydrazine?
The InChIKey is CCZIUKNXSRXXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5/c1-3-4-14-19-25-20-21(27(19)15-16-10-6-5-7-11-16)17-12-8-9-13-18(17)24-22(20)26-23-2/h5-13,23H,3-4,14-15H2,1-2H3,(H,24,26).
What are the key properties of 1-(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)-2-methylhydrazine?
1-(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)-2-methylhydrazine has a molecular weight of 359.48 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)-2-methylhydrazine is sourced from PubChem (CID 126700153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).