2-butyl-1-(2-hex-5-en-2-ynoxyethyl)imidazo[4,5-c]quinolin-4-amine

C22H26N4O — CID 142145757

IUPAC2-butyl-1-(2-hex-5-en-2-ynoxyethyl)imidazo[4,5-c]quinolin-4-amine
SMILESC=CCC#CCOCCn1c(CCCC)nc2c(N)nc3ccccc3c21
InChIInChI=1S/C22H26N4O/c1-3-5-7-10-15-27-16-14-26-19(13-6-4-2)25-20-21(26)17-11-8-9-12-18(17)24-22(20)23/h3,8-9,11-12H,1,4-6,13-16H2,2H3,(H2,23,24)
InChIKeyNXYKJPCJERWXPY-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.11
Rot. Bonds8

About 2-butyl-1-(2-hex-5-en-2-ynoxyethyl)imidazo[4,5-c]quinolin-4-amine

2-butyl-1-(2-hex-5-en-2-ynoxyethyl)imidazo[4,5-c]quinolin-4-amine (PubChem CID 142145757) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-butyl-1-(2-hex-5-en-2-ynoxyethyl)imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-butyl-1-(2-hex-5-en-2-ynoxyethyl)imidazo[4,5-c]quinolin-4-amine
PubChem CID142145757
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name2-butyl-1-(2-hex-5-en-2-ynoxyethyl)imidazo[4,5-c]quinolin-4-amine
SMILESC=CCC#CCOCCn1c(CCCC)nc2c(N)nc3ccccc3c21
InChIInChI=1S/C22H26N4O/c1-3-5-7-10-15-27-16-14-26-19(13-6-4-2)25-20-21(26)17-11-8-9-12-18(17)24-22(20)23/h3,8-9,11-12H,1,4-6,13-16H2,2H3,(H2,23,24)
InChIKeyNXYKJPCJERWXPY-UHFFFAOYSA-N
XLogP4.11
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]propane-1-sulfinate
CID 139451645
1-[2-(3-prop-2-enylsulfonylpropoxy)ethyl]-2-propylimidazo[4,5-c]quinolin-4-amine
CID 143089135
2-butyl-1-[4-(ethylaminooxy)butyl]imidazo[4,5-c]quinolin-4-amine;ethane
CID 143008375
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzamide
CID 20608822
N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-N-methylmethanesulfonamide
CID 70976292
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzamide;ethane
CID 142145306
2-butyl-1-[(4Z)-4-methoxyiminobutyl]imidazo[4,5-c]quinolin-4-amine
CID 87867716
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-1-carboxamide
CID 20608821
4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[7-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)heptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 163909468
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-2-phenylmethoxyacetamide
CID 20608837
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-4-methylsulfonylbenzenesulfonamide
CID 20613699

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-(2-hex-5-en-2-ynoxyethyl)imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-butyl-1-(2-hex-5-en-2-ynoxyethyl)imidazo[4,5-c]quinolin-4-amine (CID 142145757) is 2-butyl-1-(2-hex-5-en-2-ynoxyethyl)imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-butyl-1-(2-hex-5-en-2-ynoxyethyl)imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-butyl-1-(2-hex-5-en-2-ynoxyethyl)imidazo[4,5-c]quinolin-4-amine is C=CCC#CCOCCn1c(CCCC)nc2c(N)nc3ccccc3c21.
What is the InChIKey of 2-butyl-1-(2-hex-5-en-2-ynoxyethyl)imidazo[4,5-c]quinolin-4-amine?
The InChIKey is NXYKJPCJERWXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-3-5-7-10-15-27-16-14-26-19(13-6-4-2)25-20-21(26)17-11-8-9-12-18(17)24-22(20)23/h3,8-9,11-12H,1,4-6,13-16H2,2H3,(H2,23,24).
What are the key properties of 2-butyl-1-(2-hex-5-en-2-ynoxyethyl)imidazo[4,5-c]quinolin-4-amine?
2-butyl-1-(2-hex-5-en-2-ynoxyethyl)imidazo[4,5-c]quinolin-4-amine has a molecular weight of 362.48 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(2-hex-5-en-2-ynoxyethyl)imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 142145757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).