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

C24H28N6O — CID 18616841

IUPAC1-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-3-benzylurea
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCNC(=O)NCc1ccccc1
InChIInChI=1S/C24H28N6O/c1-2-3-13-20-29-21-22(18-11-7-8-12-19(18)28-23(21)25)30(20)15-14-26-24(31)27-16-17-9-5-4-6-10-17/h4-12H,2-3,13-16H2,1H3,(H2,25,28)(H2,26,27,31)
InChIKeyHSFXSDZZAZVAGZ-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.01
Rot. Bonds8

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

1-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-3-benzylurea (PubChem CID 18616841) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 1-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-3-benzylurea.

Molecular Properties

Compound Name1-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-3-benzylurea
PubChem CID18616841
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name1-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-3-benzylurea
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCNC(=O)NCc1ccccc1
InChIInChI=1S/C24H28N6O/c1-2-3-13-20-29-21-22(18-11-7-8-12-19(18)28-23(21)25)30(20)15-14-26-24(31)27-16-17-9-5-4-6-10-17/h4-12H,2-3,13-16H2,1H3,(H2,25,28)(H2,26,27,31)
InChIKeyHSFXSDZZAZVAGZ-UHFFFAOYSA-N
XLogP4.01
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[(3-methylphenyl)methyl]urea;molecular hydrogen
CID 158694764
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
CID 23512725
1-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-3-cyclohexa-1,3-dien-1-ylurea
CID 163869018
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-(2-chlorophenyl)urea
CID 22985761
4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-4-oxobutanoic acid
CID 135137543
methyl 2-[4-[[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propylamino]methyl]phenyl]acetate
CID 25106601
tert-butyl N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
CID 71472212
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-2-phenylmethoxyacetamide
CID 20608837
N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]naphthalene-1-sulfonamide
CID 20713987
N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N'-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanediamide
CID 167295895

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-3-benzylurea?
The IUPAC name of 1-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-3-benzylurea (CID 18616841) is 1-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-3-benzylurea.
What is the SMILES notation for 1-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-3-benzylurea?
The canonical SMILES for 1-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-3-benzylurea is CCCCc1nc2c(N)nc3ccccc3c2n1CCNC(=O)NCc1ccccc1.
What is the InChIKey of 1-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-3-benzylurea?
The InChIKey is HSFXSDZZAZVAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-2-3-13-20-29-21-22(18-11-7-8-12-19(18)28-23(21)25)30(20)15-14-26-24(31)27-16-17-9-5-4-6-10-17/h4-12H,2-3,13-16H2,1H3,(H2,25,28)(H2,26,27,31).
What are the key properties of 1-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-3-benzylurea?
1-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-3-benzylurea has a molecular weight of 416.53 g/mol, XLogP of 4.01, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-3-benzylurea is sourced from PubChem (CID 18616841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).