N-(3,4-difluorophenyl)-2-pyridin-4-ylquinazolin-4-amine

C19H12F2N4 — CID 921541

IUPACN-(3,4-difluorophenyl)-2-pyridin-4-ylquinazolin-4-amine
SMILESFc1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1F
InChIInChI=1S/C19H12F2N4/c20-15-6-5-13(11-16(15)21)23-19-14-3-1-2-4-17(14)24-18(25-19)12-7-9-22-10-8-12/h1-11H,(H,23,24,25)
InChIKeyLBPYNNJXARHGAG-UHFFFAOYSA-N
MW334.33 g/mol
LogP4.71
Rot. Bonds3

About N-(3,4-difluorophenyl)-2-pyridin-4-ylquinazolin-4-amine

N-(3,4-difluorophenyl)-2-pyridin-4-ylquinazolin-4-amine (PubChem CID 921541) has the molecular formula C19H12F2N4 and a molecular weight of 334.33 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-pyridin-4-ylquinazolin-4-amine
PubChem CID921541
Molecular FormulaC19H12F2N4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC NameN-(3,4-difluorophenyl)-2-pyridin-4-ylquinazolin-4-amine
SMILESFc1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1F
InChIInChI=1S/C19H12F2N4/c20-15-6-5-13(11-16(15)21)23-19-14-3-1-2-4-17(14)24-18(25-19)12-7-9-22-10-8-12/h1-11H,(H,23,24,25)
InChIKeyLBPYNNJXARHGAG-UHFFFAOYSA-N
XLogP4.71
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of N-(3,4-difluorophenyl)-2-pyridin-4-ylquinazolin-4-amine (CID 921541) is N-(3,4-difluorophenyl)-2-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-2-pyridin-4-ylquinazolin-4-amine is Fc1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1F.
What is the InChIKey of N-(3,4-difluorophenyl)-2-pyridin-4-ylquinazolin-4-amine?
The InChIKey is LBPYNNJXARHGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N4/c20-15-6-5-13(11-16(15)21)23-19-14-3-1-2-4-17(14)24-18(25-19)12-7-9-22-10-8-12/h1-11H,(H,23,24,25).
What are the key properties of N-(3,4-difluorophenyl)-2-pyridin-4-ylquinazolin-4-amine?
N-(3,4-difluorophenyl)-2-pyridin-4-ylquinazolin-4-amine has a molecular weight of 334.33 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 921541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).