1-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]methyl]-2-methylimidazo[4,5-c]quinolin-4-amine

C22H19FN6 — CID 69423385

IUPAC1-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]methyl]-2-methylimidazo[4,5-c]quinolin-4-amine
SMILESCc1cc(Cn2c(C)nc3c(N)nc4ccccc4c32)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H19FN6/c1-13-11-17(29(27-13)16-9-7-15(23)8-10-16)12-28-14(2)25-20-21(28)18-5-3-4-6-19(18)26-22(20)24/h3-11H,12H2,1-2H3,(H2,24,26)
InChIKeyMCVVSSANQWBQSL-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.16
Rot. Bonds3

About 1-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]methyl]-2-methylimidazo[4,5-c]quinolin-4-amine

1-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]methyl]-2-methylimidazo[4,5-c]quinolin-4-amine (PubChem CID 69423385) has the molecular formula C22H19FN6 and a molecular weight of 386.43 g/mol. Its IUPAC name is 1-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]methyl]-2-methylimidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]methyl]-2-methylimidazo[4,5-c]quinolin-4-amine
PubChem CID69423385
Molecular FormulaC22H19FN6
Molecular Weight386.43 g/mol
Exact Mass386.17
IUPAC Name1-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]methyl]-2-methylimidazo[4,5-c]quinolin-4-amine
SMILESCc1cc(Cn2c(C)nc3c(N)nc4ccccc4c32)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H19FN6/c1-13-11-17(29(27-13)16-9-7-15(23)8-10-16)12-28-14(2)25-20-21(28)18-5-3-4-6-19(18)26-22(20)24/h3-11H,12H2,1-2H3,(H2,24,26)
InChIKeyMCVVSSANQWBQSL-UHFFFAOYSA-N
XLogP4.16
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methylpropyl)-2-phenylimidazo[4,5-c]quinolin-4-amine
CID 11209291
N-[4-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)butyl]-2-methylpropanamide
CID 23512692
2-[2-[2-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]guanidine
CID 126650950
1-[[4-(aminomethyl)phenyl]methyl]-2-methylimidazo[4,5-c]quinoline-4,8-diamine
CID 126540608
N,N'-bis[[4-[(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-3-methylhexanediamide
CID 130419601
N-[3-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)propyl]butanamide
CID 23512673
2-ethyl-1-propylimidazo[4,5-c]quinolin-4-amine
CID 143008317
ethane;2-ethyl-1-propylimidazo[4,5-c]quinolin-4-amine
CID 143284639
1-N-(3-aminopropyl)-2-methylimidazo[4,5-c]quinoline-1,4-diamine
CID 86626930
4-chloro-6-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]oxy-2-methylpyrimidin-5-amine
CID 46172740
2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine
CID 11630397
1-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]ethyl]-2-methylimidazo[4,5-c]quinolin-4-amine
CID 23450084

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]methyl]-2-methylimidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]methyl]-2-methylimidazo[4,5-c]quinolin-4-amine (CID 69423385) is 1-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]methyl]-2-methylimidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]methyl]-2-methylimidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]methyl]-2-methylimidazo[4,5-c]quinolin-4-amine is Cc1cc(Cn2c(C)nc3c(N)nc4ccccc4c32)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]methyl]-2-methylimidazo[4,5-c]quinolin-4-amine?
The InChIKey is MCVVSSANQWBQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6/c1-13-11-17(29(27-13)16-9-7-15(23)8-10-16)12-28-14(2)25-20-21(28)18-5-3-4-6-19(18)26-22(20)24/h3-11H,12H2,1-2H3,(H2,24,26).
What are the key properties of 1-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]methyl]-2-methylimidazo[4,5-c]quinolin-4-amine?
1-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]methyl]-2-methylimidazo[4,5-c]quinolin-4-amine has a molecular weight of 386.43 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]methyl]-2-methylimidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 69423385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).