6-iodo-2-methylquinoline-4-carboxamide

C11H9IN2O — CID 12511256

IUPAC6-iodo-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(N)=O)c2cc(I)ccc2n1
InChIInChI=1S/C11H9IN2O/c1-6-4-9(11(13)15)8-5-7(12)2-3-10(8)14-6/h2-5H,1H3,(H2,13,15)
InChIKeyZAVXEGJUDDXKDQ-UHFFFAOYSA-N
MW312.11 g/mol
LogP2.25
Rot. Bonds1

About 6-iodo-2-methylquinoline-4-carboxamide

6-iodo-2-methylquinoline-4-carboxamide (PubChem CID 12511256) has the molecular formula C11H9IN2O and a molecular weight of 312.11 g/mol. Its IUPAC name is 6-iodo-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-iodo-2-methylquinoline-4-carboxamide
PubChem CID12511256
Molecular FormulaC11H9IN2O
Molecular Weight312.11 g/mol
Exact Mass311.98
IUPAC Name6-iodo-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(N)=O)c2cc(I)ccc2n1
InChIInChI=1S/C11H9IN2O/c1-6-4-9(11(13)15)8-5-7(12)2-3-10(8)14-6/h2-5H,1H3,(H2,13,15)
InChIKeyZAVXEGJUDDXKDQ-UHFFFAOYSA-N
XLogP2.25
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-nitroquinoline-4-carboxamide
CID 22397065
6-iodo-2-methylquinolin-4-amine
CID 62201802
7-chloro-2-methylquinoline-4-carboxamide
CID 82574049
2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]-5-iodobenzoic acid
CID 108789589
4-carboxy-2-methylquinolin-6-olate
CID 54706535
6-iodo-4-methoxy-2-methylquinoline
CID 82581194
2-methyl-7-(trifluoromethyl)quinoline-4-carboxamide
CID 82574068
methyl 3-(6-iodo-2-methylquinolin-4-yl)propanoate
CID 82578245
6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid
CID 4639551
2,7,8-trimethylquinoline-4-carboxamide
CID 82574045
6-(disulfanyl)-2-methylquinoline-4-carboxylic acid
CID 123387411
2-methyl-6-nitroquinoline-4-carboxylic acid
CID 16637250

Frequently Asked Questions

What is the IUPAC name of 6-iodo-2-methylquinoline-4-carboxamide?
The IUPAC name of 6-iodo-2-methylquinoline-4-carboxamide (CID 12511256) is 6-iodo-2-methylquinoline-4-carboxamide.
What is the SMILES notation for 6-iodo-2-methylquinoline-4-carboxamide?
The canonical SMILES for 6-iodo-2-methylquinoline-4-carboxamide is Cc1cc(C(N)=O)c2cc(I)ccc2n1.
What is the InChIKey of 6-iodo-2-methylquinoline-4-carboxamide?
The InChIKey is ZAVXEGJUDDXKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN2O/c1-6-4-9(11(13)15)8-5-7(12)2-3-10(8)14-6/h2-5H,1H3,(H2,13,15).
What are the key properties of 6-iodo-2-methylquinoline-4-carboxamide?
6-iodo-2-methylquinoline-4-carboxamide has a molecular weight of 312.11 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 12511256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).