1-[[4-amino-1-(2-aminoethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-3-methylurea

C15H19N7O — CID 69322503

IUPAC1-[[4-amino-1-(2-aminoethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-3-methylurea
SMILESCNC(=O)NCc1nc2c(N)nc3ccccc3c2n1CCN
InChIInChI=1S/C15H19N7O/c1-18-15(23)19-8-11-21-12-13(22(11)7-6-16)9-4-2-3-5-10(9)20-14(12)17/h2-5H,6-8,16H2,1H3,(H2,17,20)(H2,18,19,23)
InChIKeyCYSBEMBVHSGPDA-UHFFFAOYSA-N
MW313.37 g/mol
LogP0.55
Rot. Bonds4

About 1-[[4-amino-1-(2-aminoethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-3-methylurea

1-[[4-amino-1-(2-aminoethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-3-methylurea (PubChem CID 69322503) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is 1-[[4-amino-1-(2-aminoethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-3-methylurea.

Molecular Properties

Compound Name1-[[4-amino-1-(2-aminoethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-3-methylurea
PubChem CID69322503
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Name1-[[4-amino-1-(2-aminoethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-3-methylurea
SMILESCNC(=O)NCc1nc2c(N)nc3ccccc3c2n1CCN
InChIInChI=1S/C15H19N7O/c1-18-15(23)19-8-11-21-12-13(22(11)7-6-16)9-4-2-3-5-10(9)20-14(12)17/h2-5H,6-8,16H2,1H3,(H2,17,20)(H2,18,19,23)
InChIKeyCYSBEMBVHSGPDA-UHFFFAOYSA-N
XLogP0.55
TPSA123.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 50.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[[4-amino-1-(2-aminoethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-3-methylurea with MolForge

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Related Compounds

1-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-3-benzylurea
CID 18616841
1-butyl-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-4-amine
CID 175027745
1-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-3-methylurea
CID 11164204
2-[4-amino-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-2-yl]ethanol
CID 142032833
2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethylcarbamic acid
CID 146308241
1-methyl-2-(methylaminomethyl)imidazo[4,5-c]quinolin-4-amine
CID 59796097
2-ethyl-1-propylimidazo[4,5-c]quinolin-4-amine
CID 143008317
N-[4-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)butyl]-2-methylpropanamide
CID 23512692
ethane;2-ethyl-1-propylimidazo[4,5-c]quinolin-4-amine
CID 143284639
2-[4-amino-1-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-2-yl]ethanol
CID 143284618
4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid
CID 141281240
N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N'-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanediamide
CID 167295895

Frequently Asked Questions

What is the IUPAC name of 1-[[4-amino-1-(2-aminoethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-3-methylurea?
The IUPAC name of 1-[[4-amino-1-(2-aminoethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-3-methylurea (CID 69322503) is 1-[[4-amino-1-(2-aminoethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-3-methylurea.
What is the SMILES notation for 1-[[4-amino-1-(2-aminoethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-3-methylurea?
The canonical SMILES for 1-[[4-amino-1-(2-aminoethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-3-methylurea is CNC(=O)NCc1nc2c(N)nc3ccccc3c2n1CCN.
What is the InChIKey of 1-[[4-amino-1-(2-aminoethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-3-methylurea?
The InChIKey is CYSBEMBVHSGPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c1-18-15(23)19-8-11-21-12-13(22(11)7-6-16)9-4-2-3-5-10(9)20-14(12)17/h2-5H,6-8,16H2,1H3,(H2,17,20)(H2,18,19,23).
What are the key properties of 1-[[4-amino-1-(2-aminoethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-3-methylurea?
1-[[4-amino-1-(2-aminoethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-3-methylurea has a molecular weight of 313.37 g/mol, XLogP of 0.55, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-amino-1-(2-aminoethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-3-methylurea is sourced from PubChem (CID 69322503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).