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

C20H26IN5O3 — CID 25005465

IUPAC1-cyclohexylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydroiodide
SMILESCNCC(=O)O.I.NC(=O)c1nc2ccccc2c2c1ncn2C1CCCCC1
InChIInChI=1S/C17H18N4O.C3H7NO2.HI/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;1-4-2-3(5)6;/h4-5,8-11H,1-3,6-7H2,(H2,18,22);4H,2H2,1H3,(H,5,6);1H
InChIKeyGZCPGOJCCPRCQD-UHFFFAOYSA-N
MW511.36 g/mol
LogP3.10
Rot. Bonds4

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

1-cyclohexylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydroiodide (PubChem CID 25005465) has the molecular formula C20H26IN5O3 and a molecular weight of 511.36 g/mol. Its IUPAC name is 1-cyclohexylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydroiodide.

Molecular Properties

Compound Name1-cyclohexylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydroiodide
PubChem CID25005465
Molecular FormulaC20H26IN5O3
Molecular Weight511.36 g/mol
Exact Mass511.11
IUPAC Name1-cyclohexylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydroiodide
SMILESCNCC(=O)O.I.NC(=O)c1nc2ccccc2c2c1ncn2C1CCCCC1
InChIInChI=1S/C17H18N4O.C3H7NO2.HI/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;1-4-2-3(5)6;/h4-5,8-11H,1-3,6-7H2,(H2,18,22);4H,2H2,1H3,(H,5,6);1H
InChIKeyGZCPGOJCCPRCQD-UHFFFAOYSA-N
XLogP3.10
TPSA123.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.36
LogP ≤ 53.10
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

1-cyclohexylimidazo[4,5-c]quinoline-4-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid;2-(methylamino)acetic acid
CID 25005827
1-(2-hydroxyethyl)imidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydrochloride
CID 25004082
acetic acid;1-butylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid
CID 25007323
3-cyclopropyl-N-methylbenzimidazole-4-carboxamide
CID 67433023
3-cyclohexylquinazoline-4-thione
CID 102039202
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxyquinoline-2-carboxamide
CID 131922619
N-cycloheptyl-2-methylquinazoline-4-carboxamide
CID 110702850
6a,7,8,9,10,12-hexahydro-6H-quinolino[2,3-b]quinolizine-13-carboxamide
CID 10540789
4-chloro-N-cyclohexylquinolin-2-amine;N,2,2-trimethylpropanamide
CID 144970640
N-(2-ethyl-4-oxoquinazolin-3-yl)cycloheptanecarboxamide
CID 24823328
3-cyclobutylquinazolin-4-one
CID 171781936
2-(4-cyclopentyl-1,2,4-triazol-3-yl)-3,6-dimethylbenzoic acid
CID 103431010

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydroiodide?
The IUPAC name of 1-cyclohexylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydroiodide (CID 25005465) is 1-cyclohexylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydroiodide.
What is the SMILES notation for 1-cyclohexylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydroiodide?
The canonical SMILES for 1-cyclohexylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydroiodide is CNCC(=O)O.I.NC(=O)c1nc2ccccc2c2c1ncn2C1CCCCC1.
What is the InChIKey of 1-cyclohexylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydroiodide?
The InChIKey is GZCPGOJCCPRCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O.C3H7NO2.HI/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;1-4-2-3(5)6;/h4-5,8-11H,1-3,6-7H2,(H2,18,22);4H,2H2,1H3,(H,5,6);1H.
What are the key properties of 1-cyclohexylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydroiodide?
1-cyclohexylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydroiodide has a molecular weight of 511.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydroiodide is sourced from PubChem (CID 25005465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).