1-butylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydroiodide

C18H24IN5O3 — CID 25006955

IUPAC1-butylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydroiodide
SMILESCCCCn1cnc2c(C(N)=O)nc3ccccc3c21.CNCC(=O)O.I
InChIInChI=1S/C15H16N4O.C3H7NO2.HI/c1-2-3-8-19-9-17-12-13(15(16)20)18-11-7-5-4-6-10(11)14(12)19;1-4-2-3(5)6;/h4-7,9H,2-3,8H2,1H3,(H2,16,20);4H,2H2,1H3,(H,5,6);1H
InChIKeyARZRPXHXMLKMJG-UHFFFAOYSA-N
MW485.33 g/mol
LogP2.39
Rot. Bonds6

About 1-butylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydroiodide

1-butylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydroiodide (PubChem CID 25006955) has the molecular formula C18H24IN5O3 and a molecular weight of 485.33 g/mol. Its IUPAC name is 1-butylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydroiodide.

Molecular Properties

Compound Name1-butylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydroiodide
PubChem CID25006955
Molecular FormulaC18H24IN5O3
Molecular Weight485.33 g/mol
Exact Mass485.09
IUPAC Name1-butylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydroiodide
SMILESCCCCn1cnc2c(C(N)=O)nc3ccccc3c21.CNCC(=O)O.I
InChIInChI=1S/C15H16N4O.C3H7NO2.HI/c1-2-3-8-19-9-17-12-13(15(16)20)18-11-7-5-4-6-10(11)14(12)19;1-4-2-3(5)6;/h4-7,9H,2-3,8H2,1H3,(H2,16,20);4H,2H2,1H3,(H,5,6);1H
InChIKeyARZRPXHXMLKMJG-UHFFFAOYSA-N
XLogP2.39
TPSA123.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.33
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;1-butylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid
CID 25007323
1-butylimidazo[4,5-c]quinoline-4-carboxamide
CID 25006952
1-(2-hydroxyethyl)imidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydrochloride
CID 25004082
1-cyclohexylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydroiodide
CID 25005465
1-hexadecylimidazo[4,5-c]quinolin-4-amine
CID 11418374
1-cyclohexylimidazo[4,5-c]quinoline-4-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid;2-(methylamino)acetic acid
CID 25005827
1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-3-methyl-1-phenylurea
CID 142653136
6-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-propylhexanamide
CID 91506245
N-[8-(4-aminoimidazo[4,5-c]quinolin-1-yl)octyl]methanesulfonamide
CID 10362916
1-(3-aminopropyl)imidazo[4,5-c]quinolin-4-amine
CID 18783973
N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2-phenoxypropanamide
CID 23512668
2-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-4-(chloromethyl)benzamide
CID 68819765

Frequently Asked Questions

What is the IUPAC name of 1-butylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydroiodide?
The IUPAC name of 1-butylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydroiodide (CID 25006955) is 1-butylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydroiodide.
What is the SMILES notation for 1-butylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydroiodide?
The canonical SMILES for 1-butylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydroiodide is CCCCn1cnc2c(C(N)=O)nc3ccccc3c21.CNCC(=O)O.I.
What is the InChIKey of 1-butylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydroiodide?
The InChIKey is ARZRPXHXMLKMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O.C3H7NO2.HI/c1-2-3-8-19-9-17-12-13(15(16)20)18-11-7-5-4-6-10(11)14(12)19;1-4-2-3(5)6;/h4-7,9H,2-3,8H2,1H3,(H2,16,20);4H,2H2,1H3,(H,5,6);1H.
What are the key properties of 1-butylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydroiodide?
1-butylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydroiodide has a molecular weight of 485.33 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydroiodide is sourced from PubChem (CID 25006955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).