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

C16H20ClN5O4 — CID 25004082

IUPAC1-(2-hydroxyethyl)imidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydrochloride
SMILESCNCC(=O)O.Cl.NC(=O)c1nc2ccccc2c2c1ncn2CCO
InChIInChI=1S/C13H12N4O2.C3H7NO2.ClH/c14-13(19)11-10-12(17(5-6-18)7-15-10)8-3-1-2-4-9(8)16-11;1-4-2-3(5)6;/h1-4,7,18H,5-6H2,(H2,14,19);4H,2H2,1H3,(H,5,6);1H
InChIKeyHNTOHTNTKGUPJT-UHFFFAOYSA-N
MW381.82 g/mol
LogP0.39
Rot. Bonds5

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

1-(2-hydroxyethyl)imidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydrochloride (PubChem CID 25004082) has the molecular formula C16H20ClN5O4 and a molecular weight of 381.82 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)imidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydrochloride.

Molecular Properties

Compound Name1-(2-hydroxyethyl)imidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydrochloride
PubChem CID25004082
Molecular FormulaC16H20ClN5O4
Molecular Weight381.82 g/mol
Exact Mass381.12
IUPAC Name1-(2-hydroxyethyl)imidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydrochloride
SMILESCNCC(=O)O.Cl.NC(=O)c1nc2ccccc2c2c1ncn2CCO
InChIInChI=1S/C13H12N4O2.C3H7NO2.ClH/c14-13(19)11-10-12(17(5-6-18)7-15-10)8-3-1-2-4-9(8)16-11;1-4-2-3(5)6;/h1-4,7,18H,5-6H2,(H2,14,19);4H,2H2,1H3,(H,5,6);1H
InChIKeyHNTOHTNTKGUPJT-UHFFFAOYSA-N
XLogP0.39
TPSA143.36 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)imidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydrochloride?
The IUPAC name of 1-(2-hydroxyethyl)imidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydrochloride (CID 25004082) is 1-(2-hydroxyethyl)imidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydrochloride.
What is the SMILES notation for 1-(2-hydroxyethyl)imidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydrochloride?
The canonical SMILES for 1-(2-hydroxyethyl)imidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydrochloride is CNCC(=O)O.Cl.NC(=O)c1nc2ccccc2c2c1ncn2CCO.
What is the InChIKey of 1-(2-hydroxyethyl)imidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydrochloride?
The InChIKey is HNTOHTNTKGUPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2.C3H7NO2.ClH/c14-13(19)11-10-12(17(5-6-18)7-15-10)8-3-1-2-4-9(8)16-11;1-4-2-3(5)6;/h1-4,7,18H,5-6H2,(H2,14,19);4H,2H2,1H3,(H,5,6);1H.
What are the key properties of 1-(2-hydroxyethyl)imidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydrochloride?
1-(2-hydroxyethyl)imidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydrochloride has a molecular weight of 381.82 g/mol, XLogP of 0.39, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)imidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydrochloride is sourced from PubChem (CID 25004082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).