6-iodo-N-methyl-N-(4-methylphenyl)quinazolin-4-amine

C16H14IN3 — CID 168873008

IUPAC6-iodo-N-methyl-N-(4-methylphenyl)quinazolin-4-amine
SMILESCc1ccc(N(C)c2ncnc3ccc(I)cc23)cc1
InChIInChI=1S/C16H14IN3/c1-11-3-6-13(7-4-11)20(2)16-14-9-12(17)5-8-15(14)18-10-19-16/h3-10H,1-2H3
InChIKeyTVBHGBAFVRPBGS-UHFFFAOYSA-N
MW375.21 g/mol
LogP4.31
Rot. Bonds2

About 6-iodo-N-methyl-N-(4-methylphenyl)quinazolin-4-amine

6-iodo-N-methyl-N-(4-methylphenyl)quinazolin-4-amine (PubChem CID 168873008) has the molecular formula C16H14IN3 and a molecular weight of 375.21 g/mol. Its IUPAC name is 6-iodo-N-methyl-N-(4-methylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-iodo-N-methyl-N-(4-methylphenyl)quinazolin-4-amine
PubChem CID168873008
Molecular FormulaC16H14IN3
Molecular Weight375.21 g/mol
Exact Mass375.02
IUPAC Name6-iodo-N-methyl-N-(4-methylphenyl)quinazolin-4-amine
SMILESCc1ccc(N(C)c2ncnc3ccc(I)cc23)cc1
InChIInChI=1S/C16H14IN3/c1-11-3-6-13(7-4-11)20(2)16-14-9-12(17)5-8-15(14)18-10-19-16/h3-10H,1-2H3
InChIKeyTVBHGBAFVRPBGS-UHFFFAOYSA-N
XLogP4.31
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-methyl-4-N-(4-methylphenyl)quinazoline-4,6-diamine
CID 64587921
6-fluoro-N-(3-iodophenyl)-N-methylquinazolin-4-amine
CID 175809045
5-iodo-N-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 66319064
4-N,6-N,5-trimethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 80817833
5-bromo-N-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 66319063
4-N-(3,5-dimethylphenyl)-4-N-methylquinazoline-4,7-diamine
CID 65336645
6-methyl-N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride
CID 18558695
N-methyl-N-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]quinazolin-4-amine
CID 134186489
4-N-(4-methoxyphenyl)-4-N-methylquinazoline-4,7-diamine
CID 65337366
4-N-[4-[4-(N,4-dimethylanilino)-N-methylanilino]phenyl]-1-N,4-N-dimethyl-1-N-(4-methylphenyl)benzene-1,4-diamine
CID 90265189
propan-2-yl 2-[methyl-(6-methylquinazolin-4-yl)amino]propanoate
CID 133443423
N,6-dimethyl-N-(3-phenoxypropyl)quinazolin-4-amine
CID 112843843

Frequently Asked Questions

What is the IUPAC name of 6-iodo-N-methyl-N-(4-methylphenyl)quinazolin-4-amine?
The IUPAC name of 6-iodo-N-methyl-N-(4-methylphenyl)quinazolin-4-amine (CID 168873008) is 6-iodo-N-methyl-N-(4-methylphenyl)quinazolin-4-amine.
What is the SMILES notation for 6-iodo-N-methyl-N-(4-methylphenyl)quinazolin-4-amine?
The canonical SMILES for 6-iodo-N-methyl-N-(4-methylphenyl)quinazolin-4-amine is Cc1ccc(N(C)c2ncnc3ccc(I)cc23)cc1.
What is the InChIKey of 6-iodo-N-methyl-N-(4-methylphenyl)quinazolin-4-amine?
The InChIKey is TVBHGBAFVRPBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14IN3/c1-11-3-6-13(7-4-11)20(2)16-14-9-12(17)5-8-15(14)18-10-19-16/h3-10H,1-2H3.
What are the key properties of 6-iodo-N-methyl-N-(4-methylphenyl)quinazolin-4-amine?
6-iodo-N-methyl-N-(4-methylphenyl)quinazolin-4-amine has a molecular weight of 375.21 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-N-methyl-N-(4-methylphenyl)quinazolin-4-amine is sourced from PubChem (CID 168873008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).