N-[4-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]butan-2-yl]-1-methylcyclohexane-1-carboxamide

C27H39N5O3 — CID 121363259

IUPACN-[4-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]butan-2-yl]-1-methylcyclohexane-1-carboxamide
SMILESCOCCc1nc2c(N)nc3ccccc3c2n1CCOCCC(C)NC(=O)C1(C)CCCCC1
InChIInChI=1S/C27H39N5O3/c1-19(29-26(33)27(2)13-7-4-8-14-27)11-17-35-18-15-32-22(12-16-34-3)31-23-24(32)20-9-5-6-10-21(20)30-25(23)28/h5-6,9-10,19H,4,7-8,11-18H2,1-3H3,(H2,28,30)(H,29,33)
InChIKeyJZJLWAICSYEJIG-UHFFFAOYSA-N
MW481.64 g/mol
LogP4.24
Rot. Bonds11

About N-[4-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]butan-2-yl]-1-methylcyclohexane-1-carboxamide

N-[4-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]butan-2-yl]-1-methylcyclohexane-1-carboxamide (PubChem CID 121363259) has the molecular formula C27H39N5O3 and a molecular weight of 481.64 g/mol. Its IUPAC name is N-[4-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]butan-2-yl]-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]butan-2-yl]-1-methylcyclohexane-1-carboxamide
PubChem CID121363259
Molecular FormulaC27H39N5O3
Molecular Weight481.64 g/mol
Exact Mass481.31
IUPAC NameN-[4-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]butan-2-yl]-1-methylcyclohexane-1-carboxamide
SMILESCOCCc1nc2c(N)nc3ccccc3c2n1CCOCCC(C)NC(=O)C1(C)CCCCC1
InChIInChI=1S/C27H39N5O3/c1-19(29-26(33)27(2)13-7-4-8-14-27)11-17-35-18-15-32-22(12-16-34-3)31-23-24(32)20-9-5-6-10-21(20)30-25(23)28/h5-6,9-10,19H,4,7-8,11-18H2,1-3H3,(H2,28,30)(H,29,33)
InChIKeyJZJLWAICSYEJIG-UHFFFAOYSA-N
XLogP4.24
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.64
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]propane-1-sulfinate
CID 139451645
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzamide
CID 20608822
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-1-carboxamide
CID 20608821
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzamide;ethane
CID 142145306
N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]cyclopropanecarboxamide
CID 142145309
2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethylcarbamic acid
CID 90884300
propan-2-yl 2-[3-[[2-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl-(2-piperidin-1-ylethylcarbamoyl)amino]methyl]phenoxy]acetate
CID 58294748
3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-2-carboxamide
CID 68818570
1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-6-methylcyclohexa-2,4-diene-1-carboxamide
CID 150842471
4-amino-N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]butanamide
CID 142145311
1-[2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-cyclohexylurea
CID 10004113
1-[1-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]cyclohexyl]-3-propan-2-ylurea
CID 154013039

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]butan-2-yl]-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[4-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]butan-2-yl]-1-methylcyclohexane-1-carboxamide (CID 121363259) is N-[4-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]butan-2-yl]-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]butan-2-yl]-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[4-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]butan-2-yl]-1-methylcyclohexane-1-carboxamide is COCCc1nc2c(N)nc3ccccc3c2n1CCOCCC(C)NC(=O)C1(C)CCCCC1.
What is the InChIKey of N-[4-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]butan-2-yl]-1-methylcyclohexane-1-carboxamide?
The InChIKey is JZJLWAICSYEJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N5O3/c1-19(29-26(33)27(2)13-7-4-8-14-27)11-17-35-18-15-32-22(12-16-34-3)31-23-24(32)20-9-5-6-10-21(20)30-25(23)28/h5-6,9-10,19H,4,7-8,11-18H2,1-3H3,(H2,28,30)(H,29,33).
What are the key properties of N-[4-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]butan-2-yl]-1-methylcyclohexane-1-carboxamide?
N-[4-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]butan-2-yl]-1-methylcyclohexane-1-carboxamide has a molecular weight of 481.64 g/mol, XLogP of 4.24, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]butan-2-yl]-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 121363259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).