6-(3-fluoro-4-iodophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine

C20H14FIN4 — CID 122494265

IUPAC6-(3-fluoro-4-iodophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2ccc(-c3ccc(I)c(F)c3)cc12
InChIInChI=1S/C20H14FIN4/c1-23-20-15-9-12(13-4-6-17(22)16(21)10-13)5-7-18(15)25-19(26-20)14-3-2-8-24-11-14/h2-11H,1H3,(H,23,25,26)
InChIKeyILQHPJGWSVRBLB-UHFFFAOYSA-N
MW456.26 g/mol
LogP5.14
Rot. Bonds3

About 6-(3-fluoro-4-iodophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine

6-(3-fluoro-4-iodophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 122494265) has the molecular formula C20H14FIN4 and a molecular weight of 456.26 g/mol. Its IUPAC name is 6-(3-fluoro-4-iodophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-(3-fluoro-4-iodophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
PubChem CID122494265
Molecular FormulaC20H14FIN4
Molecular Weight456.26 g/mol
Exact Mass456.02
IUPAC Name6-(3-fluoro-4-iodophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2ccc(-c3ccc(I)c(F)c3)cc12
InChIInChI=1S/C20H14FIN4/c1-23-20-15-9-12(13-4-6-17(22)16(21)10-13)5-7-18(15)25-19(26-20)14-3-2-8-24-11-14/h2-11H,1H3,(H,23,25,26)
InChIKeyILQHPJGWSVRBLB-UHFFFAOYSA-N
XLogP5.14
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.26
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180199
6-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71274599
3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol
CID 67297993
N-methyl-6-(3-methylsulfinylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71274519
6-(3-fluoro-5-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179890
6-(5-methoxy-3-pyridinyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179842
N-methyl-6-(4-propoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71179891
N,6-dimethyl-2-pyridin-3-ylquinazolin-4-amine;ethane
CID 144500540
6-(2-fluoro-4-methylsulfonylphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180643
N-methyl-6-(3-nitrophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 89347896
6-(3,4-difluorophenyl)-N,7-dimethyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180161
7-fluoro-6-(3-fluorophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71151562

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-iodophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of 6-(3-fluoro-4-iodophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine (CID 122494265) is 6-(3-fluoro-4-iodophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for 6-(3-fluoro-4-iodophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for 6-(3-fluoro-4-iodophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine is CNc1nc(-c2cccnc2)nc2ccc(-c3ccc(I)c(F)c3)cc12.
What is the InChIKey of 6-(3-fluoro-4-iodophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is ILQHPJGWSVRBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FIN4/c1-23-20-15-9-12(13-4-6-17(22)16(21)10-13)5-7-18(15)25-19(26-20)14-3-2-8-24-11-14/h2-11H,1H3,(H,23,25,26).
What are the key properties of 6-(3-fluoro-4-iodophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
6-(3-fluoro-4-iodophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 456.26 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-iodophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 122494265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).