N-(4-iodophenyl)-3-methylquinoxalin-2-amine

C15H12IN3 — CID 14937972

IUPACN-(4-iodophenyl)-3-methylquinoxalin-2-amine
SMILESCc1nc2ccccc2nc1Nc1ccc(I)cc1
InChIInChI=1S/C15H12IN3/c1-10-15(18-12-8-6-11(16)7-9-12)19-14-5-3-2-4-13(14)17-10/h2-9H,1H3,(H,18,19)
InChIKeyMBKCFDBSIKSQFU-UHFFFAOYSA-N
MW361.19 g/mol
LogP4.29
Rot. Bonds2

About N-(4-iodophenyl)-3-methylquinoxalin-2-amine

N-(4-iodophenyl)-3-methylquinoxalin-2-amine (PubChem CID 14937972) has the molecular formula C15H12IN3 and a molecular weight of 361.19 g/mol. Its IUPAC name is N-(4-iodophenyl)-3-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-(4-iodophenyl)-3-methylquinoxalin-2-amine
PubChem CID14937972
Molecular FormulaC15H12IN3
Molecular Weight361.19 g/mol
Exact Mass361.01
IUPAC NameN-(4-iodophenyl)-3-methylquinoxalin-2-amine
SMILESCc1nc2ccccc2nc1Nc1ccc(I)cc1
InChIInChI=1S/C15H12IN3/c1-10-15(18-12-8-6-11(16)7-9-12)19-14-5-3-2-4-13(14)17-10/h2-9H,1H3,(H,18,19)
InChIKeyMBKCFDBSIKSQFU-UHFFFAOYSA-N
XLogP4.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.19
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(3-methylquinoxalin-2-yl)amino]benzoate
CID 91124666
3-N-(4-methylphenyl)quinoxaline-2,3-diamine
CID 102985247
N-(2-methoxyphenyl)-3-methylquinoxalin-2-amine
CID 23821079
4-iodo-N-phenylaniline
CID 11471947
N-(1,3-dimethylpyrazol-4-yl)-3-methylquinoxalin-2-amine
CID 102806058
N-(4-methylphenyl)phenanthridin-6-amine
CID 156902145
1-N-methyl-4-N-(3-methylquinolin-2-yl)benzene-1,4-diamine
CID 154949074
CID 161067941
CID 161067941
N-(4-chlorobutyl)-3-methylquinoxalin-2-amine
CID 106845037
3-phenyl-N-(4-phenylphenyl)quinoxalin-2-amine
CID 166918238
3-[3-[(3-methylquinoxalin-2-yl)amino]phenyl]-1H-pyridazin-6-one
CID 108779538
3-N-(3-iodophenyl)quinoxaline-2,3-diamine
CID 102985385

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-3-methylquinoxalin-2-amine?
The IUPAC name of N-(4-iodophenyl)-3-methylquinoxalin-2-amine (CID 14937972) is N-(4-iodophenyl)-3-methylquinoxalin-2-amine.
What is the SMILES notation for N-(4-iodophenyl)-3-methylquinoxalin-2-amine?
The canonical SMILES for N-(4-iodophenyl)-3-methylquinoxalin-2-amine is Cc1nc2ccccc2nc1Nc1ccc(I)cc1.
What is the InChIKey of N-(4-iodophenyl)-3-methylquinoxalin-2-amine?
The InChIKey is MBKCFDBSIKSQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12IN3/c1-10-15(18-12-8-6-11(16)7-9-12)19-14-5-3-2-4-13(14)17-10/h2-9H,1H3,(H,18,19).
What are the key properties of N-(4-iodophenyl)-3-methylquinoxalin-2-amine?
N-(4-iodophenyl)-3-methylquinoxalin-2-amine has a molecular weight of 361.19 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-3-methylquinoxalin-2-amine is sourced from PubChem (CID 14937972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).