4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid

C17H20N4O2 — CID 141281240

IUPAC4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid
SMILESCCCc1nc2c(N)nc3ccccc3c2n1CCCC(=O)O
InChIInChI=1S/C17H20N4O2/c1-2-6-13-20-15-16(21(13)10-5-9-14(22)23)11-7-3-4-8-12(11)19-17(15)18/h3-4,7-8H,2,5-6,9-10H2,1H3,(H2,18,19)(H,22,23)
InChIKeyVZSMMACMQSWICQ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.98
Rot. Bonds6

About 4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid

4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid (PubChem CID 141281240) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid
PubChem CID141281240
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid
SMILESCCCc1nc2c(N)nc3ccccc3c2n1CCCC(=O)O
InChIInChI=1S/C17H20N4O2/c1-2-6-13-20-15-16(21(13)10-5-9-14(22)23)11-7-3-4-8-12(11)19-17(15)18/h3-4,7-8H,2,5-6,9-10H2,1H3,(H2,18,19)(H,22,23)
InChIKeyVZSMMACMQSWICQ-UHFFFAOYSA-N
XLogP2.98
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 22320471
4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-4-oxobutanoic acid
CID 135137543
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]benzamide
CID 68821910
1-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxyurea
CID 58869094
3-[4-amino-1-(3-hydroxypropyl)imidazo[4,5-c]quinolin-2-yl]propanamide
CID 173109370
7-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-aminooxyheptan-2-one
CID 165105323
N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxymethanesulfonamide
CID 91001458
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
1-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butan-2-ol
CID 143198142
1-butyl-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-4-amine
CID 175027745
1-[4-[methoxy(methylsulfanyl)amino]butyl]-2-propylimidazo[4,5-c]quinolin-4-amine
CID 143056437

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid?
The IUPAC name of 4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid (CID 141281240) is 4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid.
What is the SMILES notation for 4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid?
The canonical SMILES for 4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid is CCCc1nc2c(N)nc3ccccc3c2n1CCCC(=O)O.
What is the InChIKey of 4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid?
The InChIKey is VZSMMACMQSWICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-2-6-13-20-15-16(21(13)10-5-9-14(22)23)11-7-3-4-8-12(11)19-17(15)18/h3-4,7-8H,2,5-6,9-10H2,1H3,(H2,18,19)(H,22,23).
What are the key properties of 4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid?
4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid has a molecular weight of 312.37 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid is sourced from PubChem (CID 141281240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).