3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenol

C21H22N4O — CID 147146913

IUPAC3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenol
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1Cc1cccc(O)c1
InChIInChI=1S/C21H22N4O/c1-2-3-11-18-24-19-20(16-9-4-5-10-17(16)23-21(19)22)25(18)13-14-7-6-8-15(26)12-14/h4-10,12,26H,2-3,11,13H2,1H3,(H2,22,23)
InChIKeyBTFPMCAWPXYUJO-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.26
Rot. Bonds5

About 3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenol

3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenol (PubChem CID 147146913) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenol.

Molecular Properties

Compound Name3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenol
PubChem CID147146913
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenol
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1Cc1cccc(O)c1
InChIInChI=1S/C21H22N4O/c1-2-3-11-18-24-19-20(16-9-4-5-10-17(16)23-21(19)22)25(18)13-14-7-6-8-15(26)12-14/h4-10,12,26H,2-3,11,13H2,1H3,(H2,22,23)
InChIKeyBTFPMCAWPXYUJO-UHFFFAOYSA-N
XLogP4.26
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenol?
The IUPAC name of 3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenol (CID 147146913) is 3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenol.
What is the SMILES notation for 3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenol?
The canonical SMILES for 3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenol is CCCCc1nc2c(N)nc3ccccc3c2n1Cc1cccc(O)c1.
What is the InChIKey of 3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenol?
The InChIKey is BTFPMCAWPXYUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-2-3-11-18-24-19-20(16-9-4-5-10-17(16)23-21(19)22)25(18)13-14-7-6-8-15(26)12-14/h4-10,12,26H,2-3,11,13H2,1H3,(H2,22,23).
What are the key properties of 3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenol?
3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenol has a molecular weight of 346.43 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenol is sourced from PubChem (CID 147146913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).