N-(3-fluoro-4-pyridin-4-ylphenyl)-2-pyridin-4-ylquinazolin-4-amine

C24H16FN5 — CID 70789702

IUPACN-(3-fluoro-4-pyridin-4-ylphenyl)-2-pyridin-4-ylquinazolin-4-amine
SMILESFc1cc(Nc2nc(-c3ccncc3)nc3ccccc23)ccc1-c1ccncc1
InChIInChI=1S/C24H16FN5/c25-21-15-18(5-6-19(21)16-7-11-26-12-8-16)28-24-20-3-1-2-4-22(20)29-23(30-24)17-9-13-27-14-10-17/h1-15H,(H,28,29,30)
InChIKeyGALQBGXQPZFJRR-UHFFFAOYSA-N
MW393.43 g/mol
LogP5.64
Rot. Bonds4

About N-(3-fluoro-4-pyridin-4-ylphenyl)-2-pyridin-4-ylquinazolin-4-amine

N-(3-fluoro-4-pyridin-4-ylphenyl)-2-pyridin-4-ylquinazolin-4-amine (PubChem CID 70789702) has the molecular formula C24H16FN5 and a molecular weight of 393.43 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridin-4-ylphenyl)-2-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridin-4-ylphenyl)-2-pyridin-4-ylquinazolin-4-amine
PubChem CID70789702
Molecular FormulaC24H16FN5
Molecular Weight393.43 g/mol
Exact Mass393.14
IUPAC NameN-(3-fluoro-4-pyridin-4-ylphenyl)-2-pyridin-4-ylquinazolin-4-amine
SMILESFc1cc(Nc2nc(-c3ccncc3)nc3ccccc23)ccc1-c1ccncc1
InChIInChI=1S/C24H16FN5/c25-21-15-18(5-6-19(21)16-7-11-26-12-8-16)28-24-20-3-1-2-4-22(20)29-23(30-24)17-9-13-27-14-10-17/h1-15H,(H,28,29,30)
InChIKeyGALQBGXQPZFJRR-UHFFFAOYSA-N
XLogP5.64
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.43
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-pyridin-4-ylquinazolin-4-amine
CID 70789698
N-(3-fluoro-4-methylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine
CID 20963104
2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine
CID 135058525
2-isocyano-N-(2-pyridin-4-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine
CID 164732253
N-(4-fluoro-3-methylphenyl)-2-pyrazin-2-ylquinazolin-4-amine
CID 144500782
2-phenyl-N-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 11771006
N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-2-pyridin-4-ylquinazolin-4-amine
CID 70789671
N-(2,4-dimethoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 1126120
2-phenyl-N-pyridin-4-ylpyrido[4,3-d]pyrimidin-4-amine
CID 11162349
N-(2,2-difluoroethyl)-2-pyridin-4-ylquinazolin-4-amine
CID 166217645
N-(4-phenoxyphenyl)-2-phenylquinazolin-4-amine
CID 11567274
4-N-(4-bromo-3-fluorophenyl)quinazoline-2,4-diamine
CID 80843172

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridin-4-ylphenyl)-2-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of N-(3-fluoro-4-pyridin-4-ylphenyl)-2-pyridin-4-ylquinazolin-4-amine (CID 70789702) is N-(3-fluoro-4-pyridin-4-ylphenyl)-2-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-(3-fluoro-4-pyridin-4-ylphenyl)-2-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for N-(3-fluoro-4-pyridin-4-ylphenyl)-2-pyridin-4-ylquinazolin-4-amine is Fc1cc(Nc2nc(-c3ccncc3)nc3ccccc23)ccc1-c1ccncc1.
What is the InChIKey of N-(3-fluoro-4-pyridin-4-ylphenyl)-2-pyridin-4-ylquinazolin-4-amine?
The InChIKey is GALQBGXQPZFJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN5/c25-21-15-18(5-6-19(21)16-7-11-26-12-8-16)28-24-20-3-1-2-4-22(20)29-23(30-24)17-9-13-27-14-10-17/h1-15H,(H,28,29,30).
What are the key properties of N-(3-fluoro-4-pyridin-4-ylphenyl)-2-pyridin-4-ylquinazolin-4-amine?
N-(3-fluoro-4-pyridin-4-ylphenyl)-2-pyridin-4-ylquinazolin-4-amine has a molecular weight of 393.43 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridin-4-ylphenyl)-2-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 70789702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).