1-(3-aminoprop-2-enyl)imidazo[4,5-c]quinolin-4-amine

C13H13N5 — CID 69327873

IUPAC1-(3-aminoprop-2-enyl)imidazo[4,5-c]quinolin-4-amine
SMILESNC=CCn1cnc2c(N)nc3ccccc3c21
InChIInChI=1S/C13H13N5/c14-6-3-7-18-8-16-11-12(18)9-4-1-2-5-10(9)17-13(11)15/h1-6,8H,7,14H2,(H2,15,17)
InChIKeyGGVJWYYRONIMJN-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.64
Rot. Bonds2

About 1-(3-aminoprop-2-enyl)imidazo[4,5-c]quinolin-4-amine

1-(3-aminoprop-2-enyl)imidazo[4,5-c]quinolin-4-amine (PubChem CID 69327873) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-(3-aminoprop-2-enyl)imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-(3-aminoprop-2-enyl)imidazo[4,5-c]quinolin-4-amine
PubChem CID69327873
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name1-(3-aminoprop-2-enyl)imidazo[4,5-c]quinolin-4-amine
SMILESNC=CCn1cnc2c(N)nc3ccccc3c21
InChIInChI=1S/C13H13N5/c14-6-3-7-18-8-16-11-12(18)9-4-1-2-5-10(9)17-13(11)15/h1-6,8H,7,14H2,(H2,15,17)
InChIKeyGGVJWYYRONIMJN-UHFFFAOYSA-N
XLogP1.64
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminoprop-2-enyl)imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-(3-aminoprop-2-enyl)imidazo[4,5-c]quinolin-4-amine (CID 69327873) is 1-(3-aminoprop-2-enyl)imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-(3-aminoprop-2-enyl)imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-(3-aminoprop-2-enyl)imidazo[4,5-c]quinolin-4-amine is NC=CCn1cnc2c(N)nc3ccccc3c21.
What is the InChIKey of 1-(3-aminoprop-2-enyl)imidazo[4,5-c]quinolin-4-amine?
The InChIKey is GGVJWYYRONIMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c14-6-3-7-18-8-16-11-12(18)9-4-1-2-5-10(9)17-13(11)15/h1-6,8H,7,14H2,(H2,15,17).
What are the key properties of 1-(3-aminoprop-2-enyl)imidazo[4,5-c]quinolin-4-amine?
1-(3-aminoprop-2-enyl)imidazo[4,5-c]quinolin-4-amine has a molecular weight of 239.28 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminoprop-2-enyl)imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 69327873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).