4-[4-amino-2-(2-hydroxyethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butylurea

C24H28N6O3 — CID 143012819

IUPAC4-[4-amino-2-(2-hydroxyethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butylurea
SMILESNC(=O)NCCCCn1c(CCO)nc2c(N)nc3cc(OCc4ccccc4)ccc3c21
InChIInChI=1S/C24H28N6O3/c25-23-21-22(30(20(29-21)10-13-31)12-5-4-11-27-24(26)32)18-9-8-17(14-19(18)28-23)33-15-16-6-2-1-3-7-16/h1-3,6-9,14,31H,4-5,10-13,15H2,(H2,25,28)(H3,26,27,32)
InChIKeyXTMLMJLPUBNMGJ-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.73
Rot. Bonds10

About 4-[4-amino-2-(2-hydroxyethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butylurea

4-[4-amino-2-(2-hydroxyethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butylurea (PubChem CID 143012819) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 4-[4-amino-2-(2-hydroxyethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butylurea.

Molecular Properties

Compound Name4-[4-amino-2-(2-hydroxyethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butylurea
PubChem CID143012819
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name4-[4-amino-2-(2-hydroxyethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butylurea
SMILESNC(=O)NCCCCn1c(CCO)nc2c(N)nc3cc(OCc4ccccc4)ccc3c21
InChIInChI=1S/C24H28N6O3/c25-23-21-22(30(20(29-21)10-13-31)12-5-4-11-27-24(26)32)18-9-8-17(14-19(18)28-23)33-15-16-6-2-1-3-7-16/h1-3,6-9,14,31H,4-5,10-13,15H2,(H2,25,28)(H3,26,27,32)
InChIKeyXTMLMJLPUBNMGJ-UHFFFAOYSA-N
XLogP2.73
TPSA141.31 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-amino-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-2-yl]ethanol
CID 142032833
7-[4-amino-1-(2-phenoxyethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-2-yl]-1-phenylheptan-2-one
CID 58304322
2-[4-amino-1-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-2-yl]ethanol
CID 143284618
1-[4-(4-amino-2-ethyl-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)butyl]-1-phenylurea
CID 68970171
N-[4-[4-amino-2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-4-fluorobenzenesulfonamide
CID 11856928
3-[4-amino-1-(3-hydroxypropyl)imidazo[4,5-c]quinolin-2-yl]propanamide
CID 173109370
N-[3-[4-amino-2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]propyl]morpholine-4-carboxamide
CID 11856661
tert-butyl N-[4-[4-amino-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate
CID 176656337
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-2-phenylmethoxyacetamide
CID 20608837
1-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-3-benzylurea
CID 18616841
4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-4-oxobutanoic acid
CID 135137543

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-2-(2-hydroxyethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butylurea?
The IUPAC name of 4-[4-amino-2-(2-hydroxyethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butylurea (CID 143012819) is 4-[4-amino-2-(2-hydroxyethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butylurea.
What is the SMILES notation for 4-[4-amino-2-(2-hydroxyethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butylurea?
The canonical SMILES for 4-[4-amino-2-(2-hydroxyethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butylurea is NC(=O)NCCCCn1c(CCO)nc2c(N)nc3cc(OCc4ccccc4)ccc3c21.
What is the InChIKey of 4-[4-amino-2-(2-hydroxyethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butylurea?
The InChIKey is XTMLMJLPUBNMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c25-23-21-22(30(20(29-21)10-13-31)12-5-4-11-27-24(26)32)18-9-8-17(14-19(18)28-23)33-15-16-6-2-1-3-7-16/h1-3,6-9,14,31H,4-5,10-13,15H2,(H2,25,28)(H3,26,27,32).
What are the key properties of 4-[4-amino-2-(2-hydroxyethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butylurea?
4-[4-amino-2-(2-hydroxyethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butylurea has a molecular weight of 448.53 g/mol, XLogP of 2.73, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-2-(2-hydroxyethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butylurea is sourced from PubChem (CID 143012819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).