1-[4-[4-amino-2-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]butyl]-3-propylurea;molecular hydrogen

C26H36N6O2 — CID 161339693

IUPAC1-[4-[4-amino-2-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]butyl]-3-propylurea;molecular hydrogen
SMILESCCCNC(=O)NCCCCn1c(Cc2ccc(OC)cc2)nc2c(N)nc3ccccc3c21.[H][H].[H][H]
InChIInChI=1S/C26H32N6O2.2H2/c1-3-14-28-26(33)29-15-6-7-16-32-22(17-18-10-12-19(34-2)13-11-18)31-23-24(32)20-8-4-5-9-21(20)30-25(23)27;;/h4-5,8-13H,3,6-7,14-17H2,1-2H3,(H2,27,30)(H2,28,29,33);2*1H
InChIKeyVMMSCWBPDOPLTO-UHFFFAOYSA-N
MW464.61 g/mol
LogP4.75
Rot. Bonds10

About 1-[4-[4-amino-2-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]butyl]-3-propylurea;molecular hydrogen

1-[4-[4-amino-2-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]butyl]-3-propylurea;molecular hydrogen (PubChem CID 161339693) has the molecular formula C26H36N6O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 1-[4-[4-amino-2-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]butyl]-3-propylurea;molecular hydrogen.

Molecular Properties

Compound Name1-[4-[4-amino-2-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]butyl]-3-propylurea;molecular hydrogen
PubChem CID161339693
Molecular FormulaC26H36N6O2
Molecular Weight464.61 g/mol
Exact Mass464.29
IUPAC Name1-[4-[4-amino-2-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]butyl]-3-propylurea;molecular hydrogen
SMILESCCCNC(=O)NCCCCn1c(Cc2ccc(OC)cc2)nc2c(N)nc3ccccc3c21.[H][H].[H][H]
InChIInChI=1S/C26H32N6O2.2H2/c1-3-14-28-26(33)29-15-6-7-16-32-22(17-18-10-12-19(34-2)13-11-18)31-23-24(32)20-8-4-5-9-21(20)30-25(23)27;;/h4-5,8-13H,3,6-7,14-17H2,1-2H3,(H2,27,30)(H2,28,29,33);2*1H
InChIKeyVMMSCWBPDOPLTO-UHFFFAOYSA-N
XLogP4.75
TPSA107.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-amino-2-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]butyl]methanesulfonamide
CID 22180893
1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[(3-methylphenyl)methyl]urea;molecular hydrogen
CID 158694764
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
2-[4-amino-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-2-yl]ethanol
CID 142032833
1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-(2-chlorophenyl)urea;molecular hydrogen
CID 159994347
2-[4-[4-amino-2-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]butyl]-1H-naphthalene-2-carboxamide
CID 152509827
4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid
CID 141281240
1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-(2-chlorophenyl)urea
CID 22985761
N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxymethanesulfonamide
CID 91001458
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
CID 23512725

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-amino-2-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]butyl]-3-propylurea;molecular hydrogen?
The IUPAC name of 1-[4-[4-amino-2-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]butyl]-3-propylurea;molecular hydrogen (CID 161339693) is 1-[4-[4-amino-2-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]butyl]-3-propylurea;molecular hydrogen.
What is the SMILES notation for 1-[4-[4-amino-2-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]butyl]-3-propylurea;molecular hydrogen?
The canonical SMILES for 1-[4-[4-amino-2-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]butyl]-3-propylurea;molecular hydrogen is CCCNC(=O)NCCCCn1c(Cc2ccc(OC)cc2)nc2c(N)nc3ccccc3c21.[H][H].[H][H].
What is the InChIKey of 1-[4-[4-amino-2-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]butyl]-3-propylurea;molecular hydrogen?
The InChIKey is VMMSCWBPDOPLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2.2H2/c1-3-14-28-26(33)29-15-6-7-16-32-22(17-18-10-12-19(34-2)13-11-18)31-23-24(32)20-8-4-5-9-21(20)30-25(23)27;;/h4-5,8-13H,3,6-7,14-17H2,1-2H3,(H2,27,30)(H2,28,29,33);2*1H.
What are the key properties of 1-[4-[4-amino-2-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]butyl]-3-propylurea;molecular hydrogen?
1-[4-[4-amino-2-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]butyl]-3-propylurea;molecular hydrogen has a molecular weight of 464.61 g/mol, XLogP of 4.75, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-amino-2-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]butyl]-3-propylurea;molecular hydrogen is sourced from PubChem (CID 161339693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).