3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-2-carboxamide

C27H28N6O2 — CID 68818570

IUPAC3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-2-carboxamide
SMILESCOCCc1nc2c(N)nc3ccccc3c2n1CCCCc1cc2ccccc2nc1C(N)=O
InChIInChI=1S/C27H28N6O2/c1-35-15-13-22-32-24-25(19-10-3-5-12-21(19)31-26(24)28)33(22)14-7-6-9-18-16-17-8-2-4-11-20(17)30-23(18)27(29)34/h2-5,8,10-12,16H,6-7,9,13-15H2,1H3,(H2,28,31)(H2,29,34)
InChIKeyZPYHDCTXLGGXLP-UHFFFAOYSA-N
MW468.56 g/mol
LogP4.03
Rot. Bonds9

About 3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-2-carboxamide

3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-2-carboxamide (PubChem CID 68818570) has the molecular formula C27H28N6O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is 3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-2-carboxamide
PubChem CID68818570
Molecular FormulaC27H28N6O2
Molecular Weight468.56 g/mol
Exact Mass468.23
IUPAC Name3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-2-carboxamide
SMILESCOCCc1nc2c(N)nc3ccccc3c2n1CCCCc1cc2ccccc2nc1C(N)=O
InChIInChI=1S/C27H28N6O2/c1-35-15-13-22-32-24-25(19-10-3-5-12-21(19)31-26(24)28)33(22)14-7-6-9-18-16-17-8-2-4-11-20(17)30-23(18)27(29)34/h2-5,8,10-12,16H,6-7,9,13-15H2,1H3,(H2,28,31)(H2,29,34)
InChIKeyZPYHDCTXLGGXLP-UHFFFAOYSA-N
XLogP4.03
TPSA121.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-2-carboxamide with MolForge

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Related Compounds

2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]benzamide
CID 68821910
2-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-8-sulfonamide
CID 68800168
[3-[[3-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]methyl]phenyl] acetate
CID 67227981
1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-6-methylcyclohexa-2,4-diene-1-carboxamide
CID 150842471
N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(1,1-dioxothiophen-3-yl)acetamide
CID 175017580
1-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxyurea
CID 58869094
1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-(2-chlorophenyl)urea;molecular hydrogen
CID 159994347
N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]benzenesulfonamide;N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3,4-dimethoxybenzenesulfonamide
CID 158474542
N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-[2-(dimethylamino)ethyl]-2-nitrobenzenesulfonamide
CID 67222529
N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-4-chlorobenzenesulfinamide
CID 142033161
N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 20714058
1-[4-[(2,6-dichlorophenyl)sulfanylamino]butyl]-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-amine
CID 142033055

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-2-carboxamide?
The IUPAC name of 3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-2-carboxamide (CID 68818570) is 3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-2-carboxamide.
What is the SMILES notation for 3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-2-carboxamide?
The canonical SMILES for 3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-2-carboxamide is COCCc1nc2c(N)nc3ccccc3c2n1CCCCc1cc2ccccc2nc1C(N)=O.
What is the InChIKey of 3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-2-carboxamide?
The InChIKey is ZPYHDCTXLGGXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2/c1-35-15-13-22-32-24-25(19-10-3-5-12-21(19)31-26(24)28)33(22)14-7-6-9-18-16-17-8-2-4-11-20(17)30-23(18)27(29)34/h2-5,8,10-12,16H,6-7,9,13-15H2,1H3,(H2,28,31)(H2,29,34).
What are the key properties of 3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-2-carboxamide?
3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-2-carboxamide has a molecular weight of 468.56 g/mol, XLogP of 4.03, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-2-carboxamide is sourced from PubChem (CID 68818570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).