3-iodo-N-(2-methylquinolin-5-yl)benzamide

C17H13IN2O — CID 17099145

IUPAC3-iodo-N-(2-methylquinolin-5-yl)benzamide
SMILESCc1ccc2c(NC(=O)c3cccc(I)c3)cccc2n1
InChIInChI=1S/C17H13IN2O/c1-11-8-9-14-15(19-11)6-3-7-16(14)20-17(21)12-4-2-5-13(18)10-12/h2-10H,1H3,(H,20,21)
InChIKeyQTIFKWRIOPKLGZ-UHFFFAOYSA-N
MW388.21 g/mol
LogP4.40
Rot. Bonds2

About 3-iodo-N-(2-methylquinolin-5-yl)benzamide

3-iodo-N-(2-methylquinolin-5-yl)benzamide (PubChem CID 17099145) has the molecular formula C17H13IN2O and a molecular weight of 388.21 g/mol. Its IUPAC name is 3-iodo-N-(2-methylquinolin-5-yl)benzamide.

Molecular Properties

Compound Name3-iodo-N-(2-methylquinolin-5-yl)benzamide
PubChem CID17099145
Molecular FormulaC17H13IN2O
Molecular Weight388.21 g/mol
Exact Mass388.01
IUPAC Name3-iodo-N-(2-methylquinolin-5-yl)benzamide
SMILESCc1ccc2c(NC(=O)c3cccc(I)c3)cccc2n1
InChIInChI=1S/C17H13IN2O/c1-11-8-9-14-15(19-11)6-3-7-16(14)20-17(21)12-4-2-5-13(18)10-12/h2-10H,1H3,(H,20,21)
InChIKeyQTIFKWRIOPKLGZ-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

3,4-dimethoxy-N-(2-methylquinolin-5-yl)benzamide
CID 2996969
2,4-dichloro-N-(2-methylquinolin-5-yl)benzamide
CID 6462273
3,4-dimethyl-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide
CID 17335812
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
2-[2-[(3-iodobenzoyl)amino]phenyl]acetic acid
CID 62535527
2,3-dimethyl-N-quinolin-5-ylquinoxaline-6-carboxamide
CID 51205597
N-(2-bromophenyl)-3-iodobenzamide
CID 3258895
N-(2-methylquinolin-8-yl)-3-phenylbenzamide
CID 171473806
methyl 2-[(3-iodobenzoyl)amino]benzoate
CID 1019242
N-(5-bromo-2-methylphenyl)-3-iodobenzamide
CID 43806317

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(2-methylquinolin-5-yl)benzamide?
The IUPAC name of 3-iodo-N-(2-methylquinolin-5-yl)benzamide (CID 17099145) is 3-iodo-N-(2-methylquinolin-5-yl)benzamide.
What is the SMILES notation for 3-iodo-N-(2-methylquinolin-5-yl)benzamide?
The canonical SMILES for 3-iodo-N-(2-methylquinolin-5-yl)benzamide is Cc1ccc2c(NC(=O)c3cccc(I)c3)cccc2n1.
What is the InChIKey of 3-iodo-N-(2-methylquinolin-5-yl)benzamide?
The InChIKey is QTIFKWRIOPKLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13IN2O/c1-11-8-9-14-15(19-11)6-3-7-16(14)20-17(21)12-4-2-5-13(18)10-12/h2-10H,1H3,(H,20,21).
What are the key properties of 3-iodo-N-(2-methylquinolin-5-yl)benzamide?
3-iodo-N-(2-methylquinolin-5-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 3-iodo-N-(2-methylquinolin-5-yl)benzamide is sourced from PubChem (CID 17099145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).