3-[4-amino-1-(3-hydroxypropyl)imidazo[4,5-c]quinolin-2-yl]propanamide

C16H19N5O2 — CID 173109370

IUPAC3-[4-amino-1-(3-hydroxypropyl)imidazo[4,5-c]quinolin-2-yl]propanamide
SMILESNC(=O)CCc1nc2c(N)nc3ccccc3c2n1CCCO
InChIInChI=1S/C16H19N5O2/c17-12(23)6-7-13-20-14-15(21(13)8-3-9-22)10-4-1-2-5-11(10)19-16(14)18/h1-2,4-5,22H,3,6-9H2,(H2,17,23)(H2,18,19)
InChIKeyWIBVQUBSVGPVBI-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.97
Rot. Bonds6

About 3-[4-amino-1-(3-hydroxypropyl)imidazo[4,5-c]quinolin-2-yl]propanamide

3-[4-amino-1-(3-hydroxypropyl)imidazo[4,5-c]quinolin-2-yl]propanamide (PubChem CID 173109370) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-[4-amino-1-(3-hydroxypropyl)imidazo[4,5-c]quinolin-2-yl]propanamide.

Molecular Properties

Compound Name3-[4-amino-1-(3-hydroxypropyl)imidazo[4,5-c]quinolin-2-yl]propanamide
PubChem CID173109370
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name3-[4-amino-1-(3-hydroxypropyl)imidazo[4,5-c]quinolin-2-yl]propanamide
SMILESNC(=O)CCc1nc2c(N)nc3ccccc3c2n1CCCO
InChIInChI=1S/C16H19N5O2/c17-12(23)6-7-13-20-14-15(21(13)8-3-9-22)10-4-1-2-5-11(10)19-16(14)18/h1-2,4-5,22H,3,6-9H2,(H2,17,23)(H2,18,19)
InChIKeyWIBVQUBSVGPVBI-UHFFFAOYSA-N
XLogP0.97
TPSA120.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid
CID 141281240
2-[4-amino-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-2-yl]ethanol
CID 142032833
2-[4-amino-1-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-2-yl]ethanol
CID 143284618
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]benzamide
CID 68821910
1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 22320471
2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]guanidine;hydrochloride
CID 126650986
1-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxyurea
CID 58869094
4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-4-oxobutanoic acid
CID 135137543
7-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-aminooxyheptan-2-one
CID 165105323
N-[3-[4-amino-2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]propyl]morpholine-4-carboxamide
CID 11856661

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-1-(3-hydroxypropyl)imidazo[4,5-c]quinolin-2-yl]propanamide?
The IUPAC name of 3-[4-amino-1-(3-hydroxypropyl)imidazo[4,5-c]quinolin-2-yl]propanamide (CID 173109370) is 3-[4-amino-1-(3-hydroxypropyl)imidazo[4,5-c]quinolin-2-yl]propanamide.
What is the SMILES notation for 3-[4-amino-1-(3-hydroxypropyl)imidazo[4,5-c]quinolin-2-yl]propanamide?
The canonical SMILES for 3-[4-amino-1-(3-hydroxypropyl)imidazo[4,5-c]quinolin-2-yl]propanamide is NC(=O)CCc1nc2c(N)nc3ccccc3c2n1CCCO.
What is the InChIKey of 3-[4-amino-1-(3-hydroxypropyl)imidazo[4,5-c]quinolin-2-yl]propanamide?
The InChIKey is WIBVQUBSVGPVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c17-12(23)6-7-13-20-14-15(21(13)8-3-9-22)10-4-1-2-5-11(10)19-16(14)18/h1-2,4-5,22H,3,6-9H2,(H2,17,23)(H2,18,19).
What are the key properties of 3-[4-amino-1-(3-hydroxypropyl)imidazo[4,5-c]quinolin-2-yl]propanamide?
3-[4-amino-1-(3-hydroxypropyl)imidazo[4,5-c]quinolin-2-yl]propanamide has a molecular weight of 313.36 g/mol, XLogP of 0.97, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-1-(3-hydroxypropyl)imidazo[4,5-c]quinolin-2-yl]propanamide is sourced from PubChem (CID 173109370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).