4-amino-1-[[3-[4-(methylaminomethyl)phenoxy]phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one

C25H23N5O2 — CID 164596708

IUPAC4-amino-1-[[3-[4-(methylaminomethyl)phenoxy]phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESCNCc1ccc(Oc2cccc(Cn3c(=O)[nH]c4c(N)nc5ccccc5c43)c2)cc1
InChIInChI=1S/C25H23N5O2/c1-27-14-16-9-11-18(12-10-16)32-19-6-4-5-17(13-19)15-30-23-20-7-2-3-8-21(20)28-24(26)22(23)29-25(30)31/h2-13,27H,14-15H2,1H3,(H2,26,28)(H,29,31)
InChIKeyYEQPIIIHCAIFEO-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.02
Rot. Bonds6

About 4-amino-1-[[3-[4-(methylaminomethyl)phenoxy]phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one

4-amino-1-[[3-[4-(methylaminomethyl)phenoxy]phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 164596708) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 4-amino-1-[[3-[4-(methylaminomethyl)phenoxy]phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name4-amino-1-[[3-[4-(methylaminomethyl)phenoxy]phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID164596708
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name4-amino-1-[[3-[4-(methylaminomethyl)phenoxy]phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESCNCc1ccc(Oc2cccc(Cn3c(=O)[nH]c4c(N)nc5ccccc5c43)c2)cc1
InChIInChI=1S/C25H23N5O2/c1-27-14-16-9-11-18(12-10-16)32-19-6-4-5-17(13-19)15-30-23-20-7-2-3-8-21(20)28-24(26)22(23)29-25(30)31/h2-13,27H,14-15H2,1H3,(H2,26,28)(H,29,31)
InChIKeyYEQPIIIHCAIFEO-UHFFFAOYSA-N
XLogP4.02
TPSA97.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-1-[[3-[4-(methylaminomethyl)phenoxy]phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one with MolForge

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Related Compounds

6-amino-2-butoxy-9-[[3-[3-(methylaminomethyl)phenoxy]phenyl]methyl]-7H-purin-8-one
CID 154702443
2-butyl-1-[(3-phenoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 164926465
6-amino-9-[[3-[3-(cyclohexylmethyl)phenoxy]phenyl]methyl]-2-methyl-7H-purin-8-one
CID 159992710
3-benzyl-6-phenoxy-1H-benzimidazol-2-one
CID 10335905
3-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-6-phenoxy-1H-quinazoline-2,4-dione
CID 166357701
6-amino-2-(benzylamino)-9-[[3-(dimethylphosphorylmethyl)phenyl]methyl]-7H-purin-8-one
CID 71141156
2-(3-methylphenyl)-3-[(3-phenoxyphenyl)methylamino]quinazolin-4-one
CID 23769692
4-amino-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3H-imidazo[4,5-c][1,8]naphthyridin-2-one
CID 164596655
6-amino-2-methyl-9-[[3-[3-[2-(oxan-4-yl)ethyl]phenoxy]phenyl]methyl]-7H-purin-8-one
CID 158101687
6-amino-2-butoxy-9-(naphthalen-2-ylmethyl)-7H-purin-8-one
CID 22928916
5-amino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one
CID 59299636
4-[[4-(methylaminomethyl)phenyl]methyl]quinolin-2-amine
CID 138645350

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[[3-[4-(methylaminomethyl)phenoxy]phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 4-amino-1-[[3-[4-(methylaminomethyl)phenoxy]phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one (CID 164596708) is 4-amino-1-[[3-[4-(methylaminomethyl)phenoxy]phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 4-amino-1-[[3-[4-(methylaminomethyl)phenoxy]phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 4-amino-1-[[3-[4-(methylaminomethyl)phenoxy]phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one is CNCc1ccc(Oc2cccc(Cn3c(=O)[nH]c4c(N)nc5ccccc5c43)c2)cc1.
What is the InChIKey of 4-amino-1-[[3-[4-(methylaminomethyl)phenoxy]phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is YEQPIIIHCAIFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-27-14-16-9-11-18(12-10-16)32-19-6-4-5-17(13-19)15-30-23-20-7-2-3-8-21(20)28-24(26)22(23)29-25(30)31/h2-13,27H,14-15H2,1H3,(H2,26,28)(H,29,31).
What are the key properties of 4-amino-1-[[3-[4-(methylaminomethyl)phenoxy]phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one?
4-amino-1-[[3-[4-(methylaminomethyl)phenoxy]phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 425.49 g/mol, XLogP of 4.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[[3-[4-(methylaminomethyl)phenoxy]phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 164596708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).