1-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-2-methylsulfanylimidazo[4,5-c]quinolin-4-amine

C22H25N5OS — CID 167226341

IUPAC1-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-2-methylsulfanylimidazo[4,5-c]quinolin-4-amine
SMILESCOc1cc(CN(C)C)ccc1Cn1c(SC)nc2c(N)nc3ccccc3c21
InChIInChI=1S/C22H25N5OS/c1-26(2)12-14-9-10-15(18(11-14)28-3)13-27-20-16-7-5-6-8-17(16)24-21(23)19(20)25-22(27)29-4/h5-11H,12-13H2,1-4H3,(H2,23,24)
InChIKeyFKQHUCHCMWSFGH-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.01
Rot. Bonds6

About 1-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-2-methylsulfanylimidazo[4,5-c]quinolin-4-amine

1-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-2-methylsulfanylimidazo[4,5-c]quinolin-4-amine (PubChem CID 167226341) has the molecular formula C22H25N5OS and a molecular weight of 407.54 g/mol. Its IUPAC name is 1-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-2-methylsulfanylimidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-2-methylsulfanylimidazo[4,5-c]quinolin-4-amine
PubChem CID167226341
Molecular FormulaC22H25N5OS
Molecular Weight407.54 g/mol
Exact Mass407.18
IUPAC Name1-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-2-methylsulfanylimidazo[4,5-c]quinolin-4-amine
SMILESCOc1cc(CN(C)C)ccc1Cn1c(SC)nc2c(N)nc3ccccc3c21
InChIInChI=1S/C22H25N5OS/c1-26(2)12-14-9-10-15(18(11-14)28-3)13-27-20-16-7-5-6-8-17(16)24-21(23)19(20)25-22(27)29-4/h5-11H,12-13H2,1-4H3,(H2,23,24)
InChIKeyFKQHUCHCMWSFGH-UHFFFAOYSA-N
XLogP4.01
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-2-methylsulfanylimidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-2-methylsulfanylimidazo[4,5-c]quinolin-4-amine (CID 167226341) is 1-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-2-methylsulfanylimidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-2-methylsulfanylimidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-2-methylsulfanylimidazo[4,5-c]quinolin-4-amine is COc1cc(CN(C)C)ccc1Cn1c(SC)nc2c(N)nc3ccccc3c21.
What is the InChIKey of 1-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-2-methylsulfanylimidazo[4,5-c]quinolin-4-amine?
The InChIKey is FKQHUCHCMWSFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5OS/c1-26(2)12-14-9-10-15(18(11-14)28-3)13-27-20-16-7-5-6-8-17(16)24-21(23)19(20)25-22(27)29-4/h5-11H,12-13H2,1-4H3,(H2,23,24).
What are the key properties of 1-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-2-methylsulfanylimidazo[4,5-c]quinolin-4-amine?
1-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-2-methylsulfanylimidazo[4,5-c]quinolin-4-amine has a molecular weight of 407.54 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-2-methylsulfanylimidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 167226341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).