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

C20H27N5O5 — CID 25007323

IUPACacetic acid;1-butylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid
SMILESCC(=O)O.CCCCn1cnc2c(C(N)=O)nc3ccccc3c21.CNCC(=O)O
InChIInChI=1S/C15H16N4O.C3H7NO2.C2H4O2/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;1-2(3)4/h4-7,9H,2-3,8H2,1H3,(H2,16,20);4H,2H2,1H3,(H,5,6);1H3,(H,3,4)
InChIKeyNXXKTTYDGNBGTC-UHFFFAOYSA-N
MW417.47 g/mol
LogP1.86
Rot. Bonds6

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

acetic acid;1-butylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid (PubChem CID 25007323) has the molecular formula C20H27N5O5 and a molecular weight of 417.47 g/mol. Its IUPAC name is acetic acid;1-butylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid.

Molecular Properties

Compound Nameacetic acid;1-butylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid
PubChem CID25007323
Molecular FormulaC20H27N5O5
Molecular Weight417.47 g/mol
Exact Mass417.20
IUPAC Nameacetic acid;1-butylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid
SMILESCC(=O)O.CCCCn1cnc2c(C(N)=O)nc3ccccc3c21.CNCC(=O)O
InChIInChI=1S/C15H16N4O.C3H7NO2.C2H4O2/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;1-2(3)4/h4-7,9H,2-3,8H2,1H3,(H2,16,20);4H,2H2,1H3,(H,5,6);1H3,(H,3,4)
InChIKeyNXXKTTYDGNBGTC-UHFFFAOYSA-N
XLogP1.86
TPSA160.43 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-butylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydroiodide
CID 25006955
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 acetic acid;1-butylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid?
The IUPAC name of acetic acid;1-butylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid (CID 25007323) is acetic acid;1-butylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid.
What is the SMILES notation for acetic acid;1-butylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid?
The canonical SMILES for acetic acid;1-butylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid is CC(=O)O.CCCCn1cnc2c(C(N)=O)nc3ccccc3c21.CNCC(=O)O.
What is the InChIKey of acetic acid;1-butylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid?
The InChIKey is NXXKTTYDGNBGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O.C3H7NO2.C2H4O2/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;1-2(3)4/h4-7,9H,2-3,8H2,1H3,(H2,16,20);4H,2H2,1H3,(H,5,6);1H3,(H,3,4).
What are the key properties of acetic acid;1-butylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid?
acetic acid;1-butylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid has a molecular weight of 417.47 g/mol, XLogP of 1.86, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-butylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid is sourced from PubChem (CID 25007323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).