2-iodo-N-(2-methylquinolin-4-yl)benzamide

C17H13IN2O — CID 60653788

IUPAC2-iodo-N-(2-methylquinolin-4-yl)benzamide
SMILESCc1cc(NC(=O)c2ccccc2I)c2ccccc2n1
InChIInChI=1S/C17H13IN2O/c1-11-10-16(13-7-3-5-9-15(13)19-11)20-17(21)12-6-2-4-8-14(12)18/h2-10H,1H3,(H,19,20,21)
InChIKeyIRAADTTZZJFCGE-UHFFFAOYSA-N
MW388.21 g/mol
LogP4.40
Rot. Bonds2

About 2-iodo-N-(2-methylquinolin-4-yl)benzamide

2-iodo-N-(2-methylquinolin-4-yl)benzamide (PubChem CID 60653788) has the molecular formula C17H13IN2O and a molecular weight of 388.21 g/mol. Its IUPAC name is 2-iodo-N-(2-methylquinolin-4-yl)benzamide.

Molecular Properties

Compound Name2-iodo-N-(2-methylquinolin-4-yl)benzamide
PubChem CID60653788
Molecular FormulaC17H13IN2O
Molecular Weight388.21 g/mol
Exact Mass388.01
IUPAC Name2-iodo-N-(2-methylquinolin-4-yl)benzamide
SMILESCc1cc(NC(=O)c2ccccc2I)c2ccccc2n1
InChIInChI=1S/C17H13IN2O/c1-11-10-16(13-7-3-5-9-15(13)19-11)20-17(21)12-6-2-4-8-14(12)18/h2-10H,1H3,(H,19,20,21)
InChIKeyIRAADTTZZJFCGE-UHFFFAOYSA-N
XLogP4.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 54.40
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-N-(2-methylquinolin-4-yl)benzamide
CID 3291896
2-[(2-methylquinolin-4-yl)carbamoylamino]benzamide
CID 53319759
1-(2-methylquinolin-4-yl)-3-phenylurea
CID 5110969
4-bromo-N-(2-methylquinolin-4-yl)-1H-pyrrole-2-carboxamide
CID 43411205
3-chloro-N-(2-methylquinolin-4-yl)benzamide
CID 4298030
N-(2-methylquinolin-4-yl)-3-sulfanylbenzamide
CID 107020202
2,3-dimethyl-N-(2-methylquinolin-4-yl)quinoxaline-6-carboxamide
CID 29152059
5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-(2-methylquinolin-4-yl)pyrazole-4-carboxamide
CID 75526259
N-(2-chlorophenyl)-2-methylquinoline-4-carboxamide
CID 856039
1-(benzenesulfonyl)-3-(2-methylquinolin-4-yl)urea
CID 21177304
3-amino-N-(2-methylquinolin-4-yl)pyridine-2-carboxamide
CID 104740834
N-(2-methylquinolin-4-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 3900592

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(2-methylquinolin-4-yl)benzamide?
The IUPAC name of 2-iodo-N-(2-methylquinolin-4-yl)benzamide (CID 60653788) is 2-iodo-N-(2-methylquinolin-4-yl)benzamide.
What is the SMILES notation for 2-iodo-N-(2-methylquinolin-4-yl)benzamide?
The canonical SMILES for 2-iodo-N-(2-methylquinolin-4-yl)benzamide is Cc1cc(NC(=O)c2ccccc2I)c2ccccc2n1.
What is the InChIKey of 2-iodo-N-(2-methylquinolin-4-yl)benzamide?
The InChIKey is IRAADTTZZJFCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13IN2O/c1-11-10-16(13-7-3-5-9-15(13)19-11)20-17(21)12-6-2-4-8-14(12)18/h2-10H,1H3,(H,19,20,21).
What are the key properties of 2-iodo-N-(2-methylquinolin-4-yl)benzamide?
2-iodo-N-(2-methylquinolin-4-yl)benzamide has a molecular weight of 388.21 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(2-methylquinolin-4-yl)benzamide is sourced from PubChem (CID 60653788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).