1-cyclohexylimidazo[4,5-c]quinoline-4-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid;2-(methylamino)acetic acid

C26H33N5O10 — CID 25005827

IUPAC1-cyclohexylimidazo[4,5-c]quinoline-4-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid;2-(methylamino)acetic acid
SMILESCNCC(=O)O.NC(=O)c1nc2ccccc2c2c1ncn2C1CCCCC1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C17H18N4O.C6H8O7.C3H7NO2/c18-17(22)15-14-16(12-8-4-5-9-13(12)20-15)21(10-19-14)11-6-2-1-3-7-11;7-3(8)1-6(13,5(11)12)2-4(9)10;1-4-2-3(5)6/h4-5,8-11H,1-3,6-7H2,(H2,18,22);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);4H,2H2,1H3,(H,5,6)
InChIKeyYTOWKFBPENVMLI-UHFFFAOYSA-N
MW575.58 g/mol
LogP1.23
Rot. Bonds9

About 1-cyclohexylimidazo[4,5-c]quinoline-4-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid;2-(methylamino)acetic acid

1-cyclohexylimidazo[4,5-c]quinoline-4-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid;2-(methylamino)acetic acid (PubChem CID 25005827) has the molecular formula C26H33N5O10 and a molecular weight of 575.58 g/mol. Its IUPAC name is 1-cyclohexylimidazo[4,5-c]quinoline-4-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid;2-(methylamino)acetic acid.

Molecular Properties

Compound Name1-cyclohexylimidazo[4,5-c]quinoline-4-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid;2-(methylamino)acetic acid
PubChem CID25005827
Molecular FormulaC26H33N5O10
Molecular Weight575.58 g/mol
Exact Mass575.22
IUPAC Name1-cyclohexylimidazo[4,5-c]quinoline-4-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid;2-(methylamino)acetic acid
SMILESCNCC(=O)O.NC(=O)c1nc2ccccc2c2c1ncn2C1CCCCC1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C17H18N4O.C6H8O7.C3H7NO2/c18-17(22)15-14-16(12-8-4-5-9-13(12)20-15)21(10-19-14)11-6-2-1-3-7-11;7-3(8)1-6(13,5(11)12)2-4(9)10;1-4-2-3(5)6/h4-5,8-11H,1-3,6-7H2,(H2,18,22);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);4H,2H2,1H3,(H,5,6)
InChIKeyYTOWKFBPENVMLI-UHFFFAOYSA-N
XLogP1.23
TPSA255.26 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.58
LogP ≤ 51.23
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylimidazo[4,5-c]quinoline-4-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid;2-(methylamino)acetic acid?
The IUPAC name of 1-cyclohexylimidazo[4,5-c]quinoline-4-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid;2-(methylamino)acetic acid (CID 25005827) is 1-cyclohexylimidazo[4,5-c]quinoline-4-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid;2-(methylamino)acetic acid.
What is the SMILES notation for 1-cyclohexylimidazo[4,5-c]quinoline-4-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid;2-(methylamino)acetic acid?
The canonical SMILES for 1-cyclohexylimidazo[4,5-c]quinoline-4-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid;2-(methylamino)acetic acid is CNCC(=O)O.NC(=O)c1nc2ccccc2c2c1ncn2C1CCCCC1.O=C(O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of 1-cyclohexylimidazo[4,5-c]quinoline-4-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid;2-(methylamino)acetic acid?
The InChIKey is YTOWKFBPENVMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O.C6H8O7.C3H7NO2/c18-17(22)15-14-16(12-8-4-5-9-13(12)20-15)21(10-19-14)11-6-2-1-3-7-11;7-3(8)1-6(13,5(11)12)2-4(9)10;1-4-2-3(5)6/h4-5,8-11H,1-3,6-7H2,(H2,18,22);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);4H,2H2,1H3,(H,5,6).
What are the key properties of 1-cyclohexylimidazo[4,5-c]quinoline-4-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid;2-(methylamino)acetic acid?
1-cyclohexylimidazo[4,5-c]quinoline-4-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid;2-(methylamino)acetic acid has a molecular weight of 575.58 g/mol, XLogP of 1.23, 9 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylimidazo[4,5-c]quinoline-4-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid;2-(methylamino)acetic acid is sourced from PubChem (CID 25005827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).