1-(4-amino-2-butyl-7-chloroimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol

C18H23ClN4O — CID 155213433

IUPAC1-(4-amino-2-butyl-7-chloroimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
SMILESCCCCc1nc2c(N)nc3cc(Cl)ccc3c2n1CC(C)(C)O
InChIInChI=1S/C18H23ClN4O/c1-4-5-6-14-22-15-16(23(14)10-18(2,3)24)12-8-7-11(19)9-13(12)21-17(15)20/h7-9,24H,4-6,10H2,1-3H3,(H2,20,21)
InChIKeyMVENUAKDNZKDGF-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.93
Rot. Bonds5

About 1-(4-amino-2-butyl-7-chloroimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol

1-(4-amino-2-butyl-7-chloroimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol (PubChem CID 155213433) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-(4-amino-2-butyl-7-chloroimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-amino-2-butyl-7-chloroimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
PubChem CID155213433
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name1-(4-amino-2-butyl-7-chloroimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
SMILESCCCCc1nc2c(N)nc3cc(Cl)ccc3c2n1CC(C)(C)O
InChIInChI=1S/C18H23ClN4O/c1-4-5-6-14-22-15-16(23(14)10-18(2,3)24)12-8-7-11(19)9-13(12)21-17(15)20/h7-9,24H,4-6,10H2,1-3H3,(H2,20,21)
InChIKeyMVENUAKDNZKDGF-UHFFFAOYSA-N
XLogP3.93
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-butyl-7-chloroimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-amino-2-butyl-7-chloroimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol (CID 155213433) is 1-(4-amino-2-butyl-7-chloroimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-amino-2-butyl-7-chloroimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-amino-2-butyl-7-chloroimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol is CCCCc1nc2c(N)nc3cc(Cl)ccc3c2n1CC(C)(C)O.
What is the InChIKey of 1-(4-amino-2-butyl-7-chloroimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol?
The InChIKey is MVENUAKDNZKDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-4-5-6-14-22-15-16(23(14)10-18(2,3)24)12-8-7-11(19)9-13(12)21-17(15)20/h7-9,24H,4-6,10H2,1-3H3,(H2,20,21).
What are the key properties of 1-(4-amino-2-butyl-7-chloroimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol?
1-(4-amino-2-butyl-7-chloroimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol has a molecular weight of 346.86 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-butyl-7-chloroimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 155213433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).