6-(4-fluorophenyl)-8-iodo-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine

C21H17FIN5 — CID 169093085

IUPAC6-(4-fluorophenyl)-8-iodo-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine
SMILESCc1ccc([C@@H](C)Nc2ncnc3c(I)cc(-c4ccc(F)cc4)cc23)nn1
InChIInChI=1S/C21H17FIN5/c1-12-3-8-19(28-27-12)13(2)26-21-17-9-15(14-4-6-16(22)7-5-14)10-18(23)20(17)24-11-25-21/h3-11,13H,1-2H3,(H,24,25,26)/t13-/m1/s1
InChIKeySQTZIEQYQMBXDC-CYBMUJFWSA-N
MW485.30 g/mol
LogP5.31
Rot. Bonds4

About 6-(4-fluorophenyl)-8-iodo-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine

6-(4-fluorophenyl)-8-iodo-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine (PubChem CID 169093085) has the molecular formula C21H17FIN5 and a molecular weight of 485.30 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-8-iodo-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-8-iodo-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine
PubChem CID169093085
Molecular FormulaC21H17FIN5
Molecular Weight485.30 g/mol
Exact Mass485.05
IUPAC Name6-(4-fluorophenyl)-8-iodo-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine
SMILESCc1ccc([C@@H](C)Nc2ncnc3c(I)cc(-c4ccc(F)cc4)cc23)nn1
InChIInChI=1S/C21H17FIN5/c1-12-3-8-19(28-27-12)13(2)26-21-17-9-15(14-4-6-16(22)7-5-14)10-18(23)20(17)24-11-25-21/h3-11,13H,1-2H3,(H,24,25,26)/t13-/m1/s1
InChIKeySQTZIEQYQMBXDC-CYBMUJFWSA-N
XLogP5.31
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.30
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(4-fluorophenyl)-8-iodo-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine with MolForge

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Related Compounds

6-(4-fluorophenyl)-N-[1-(6-methylpyridazin-3-yl)ethyl]-8-morpholin-4-ylsulfonylquinazolin-4-amine
CID 175190898
6-(4-fluorophenyl)-4-[1-(6-methyl-3-pyridinyl)ethylamino]quinazolin-8-ol
CID 155728488
6-(4-fluorophenyl)-4-[(6-methylpyridazin-3-yl)methylamino]quinazolin-8-ol
CID 155339950
8-methoxy-6-(3-methylpyrazol-1-yl)-N-[1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine
CID 155339874
6-(4-fluorophenyl)-N-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinazoline-8-sulfonamide
CID 169093079
6-(3-chloropyrazol-1-yl)-8-methoxy-N-[1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine
CID 155728818
7-(4-fluorophenyl)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-5-morpholin-4-ylsulfonylphthalazin-1-amine
CID 164823008
6-(4-fluorophenyl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-8-(1,3,5-trimethylpyrazol-4-yl)quinazolin-4-amine
CID 155340618
6-(4-fluorophenyl)-4-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethylamino]quinazoline-8-sulfonamide
CID 175224338
6-(4-fluorophenyl)-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine
CID 155339893
N-[4-[(Z)-but-2-en-2-yl]imino-2,5-dimethylheptan-3-yl]-6-(4-fluorophenyl)-8-methoxyquinazolin-4-amine
CID 155728403
6-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-[[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]amino]quinazoline-8-sulfonamide
CID 167090391

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-8-iodo-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine?
The IUPAC name of 6-(4-fluorophenyl)-8-iodo-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine (CID 169093085) is 6-(4-fluorophenyl)-8-iodo-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-8-iodo-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine?
The canonical SMILES for 6-(4-fluorophenyl)-8-iodo-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine is Cc1ccc([C@@H](C)Nc2ncnc3c(I)cc(-c4ccc(F)cc4)cc23)nn1.
What is the InChIKey of 6-(4-fluorophenyl)-8-iodo-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine?
The InChIKey is SQTZIEQYQMBXDC-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H17FIN5/c1-12-3-8-19(28-27-12)13(2)26-21-17-9-15(14-4-6-16(22)7-5-14)10-18(23)20(17)24-11-25-21/h3-11,13H,1-2H3,(H,24,25,26)/t13-/m1/s1.
What are the key properties of 6-(4-fluorophenyl)-8-iodo-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine?
6-(4-fluorophenyl)-8-iodo-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine has a molecular weight of 485.30 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-8-iodo-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 169093085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).