1-(4-aminobutoxy)-2-butyl-7-diethylphosphanyloxyimidazo[4,5-c]quinolin-4-amine

C22H34N5O2P — CID 175249454

IUPAC1-(4-aminobutoxy)-2-butyl-7-diethylphosphanyloxyimidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3cc(OP(CC)CC)ccc3c2n1OCCCCN
InChIInChI=1S/C22H34N5O2P/c1-4-7-10-19-26-20-21(27(19)28-14-9-8-13-23)17-12-11-16(29-30(5-2)6-3)15-18(17)25-22(20)24/h11-12,15H,4-10,13-14,23H2,1-3H3,(H2,24,25)
InChIKeyVSEVUNSUBHQZSY-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.49
Rot. Bonds12

About 1-(4-aminobutoxy)-2-butyl-7-diethylphosphanyloxyimidazo[4,5-c]quinolin-4-amine

1-(4-aminobutoxy)-2-butyl-7-diethylphosphanyloxyimidazo[4,5-c]quinolin-4-amine (PubChem CID 175249454) has the molecular formula C22H34N5O2P and a molecular weight of 431.52 g/mol. Its IUPAC name is 1-(4-aminobutoxy)-2-butyl-7-diethylphosphanyloxyimidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-(4-aminobutoxy)-2-butyl-7-diethylphosphanyloxyimidazo[4,5-c]quinolin-4-amine
PubChem CID175249454
Molecular FormulaC22H34N5O2P
Molecular Weight431.52 g/mol
Exact Mass431.25
IUPAC Name1-(4-aminobutoxy)-2-butyl-7-diethylphosphanyloxyimidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3cc(OP(CC)CC)ccc3c2n1OCCCCN
InChIInChI=1S/C22H34N5O2P/c1-4-7-10-19-26-20-21(27(19)28-14-9-8-13-23)17-12-11-16(29-30(5-2)6-3)15-18(17)25-22(20)24/h11-12,15H,4-10,13-14,23H2,1-3H3,(H2,24,25)
InChIKeyVSEVUNSUBHQZSY-UHFFFAOYSA-N
XLogP4.49
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-(4-aminobutoxy)-2-butyl-7-diethylphosphanyloxyimidazo[4,5-c]quinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-aminobutoxy)-2-butylimidazo[4,5-c]quinolin-4-amine;(E)-but-2-enedioic acid
CID 66765685
S-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate
CID 130233004
7-(3-aminopropoxy)-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 58833712
2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]octadecanamide
CID 151097826
2-butyl-1-[4-(3-heptadecyl-1,2,4-oxadiazol-5-yl)butoxy]imidazo[4,5-c]quinolin-4-amine
CID 154666615
4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl carbamate;2,2-dimethylpentane
CID 144759222
S-methyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamothioate
CID 166661227
2-butyl-7-dimethylphosphoryl-1-[4-(4-pentadecyltriazol-1-yl)butoxy]imidazo[4,5-c]quinolin-4-amine
CID 155472906
1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 123998715
benzyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;ethane
CID 154666644
2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-6-hydrazinylpyridine-3-carboxamide
CID 141350943
(2S)-N-[4-(4-amino-2-butyl-7-dimethylphosphorylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 170114834

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutoxy)-2-butyl-7-diethylphosphanyloxyimidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-(4-aminobutoxy)-2-butyl-7-diethylphosphanyloxyimidazo[4,5-c]quinolin-4-amine (CID 175249454) is 1-(4-aminobutoxy)-2-butyl-7-diethylphosphanyloxyimidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-(4-aminobutoxy)-2-butyl-7-diethylphosphanyloxyimidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-(4-aminobutoxy)-2-butyl-7-diethylphosphanyloxyimidazo[4,5-c]quinolin-4-amine is CCCCc1nc2c(N)nc3cc(OP(CC)CC)ccc3c2n1OCCCCN.
What is the InChIKey of 1-(4-aminobutoxy)-2-butyl-7-diethylphosphanyloxyimidazo[4,5-c]quinolin-4-amine?
The InChIKey is VSEVUNSUBHQZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N5O2P/c1-4-7-10-19-26-20-21(27(19)28-14-9-8-13-23)17-12-11-16(29-30(5-2)6-3)15-18(17)25-22(20)24/h11-12,15H,4-10,13-14,23H2,1-3H3,(H2,24,25).
What are the key properties of 1-(4-aminobutoxy)-2-butyl-7-diethylphosphanyloxyimidazo[4,5-c]quinolin-4-amine?
1-(4-aminobutoxy)-2-butyl-7-diethylphosphanyloxyimidazo[4,5-c]quinolin-4-amine has a molecular weight of 431.52 g/mol, XLogP of 4.49, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutoxy)-2-butyl-7-diethylphosphanyloxyimidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 175249454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).