6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine

C19H12F2N4 — CID 90094988

IUPAC6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine
SMILESNc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(F)c3)cc12
InChIInChI=1S/C19H12F2N4/c20-15-5-3-12(9-16(15)21)18-13(2-1-7-23-18)11-4-6-17-14(8-11)19(22)25-10-24-17/h1-10H,(H2,22,24,25)
InChIKeyLQWVLHUZJAAOGF-UHFFFAOYSA-N
MW334.33 g/mol
LogP4.22
Rot. Bonds2

About 6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine

6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine (PubChem CID 90094988) has the molecular formula C19H12F2N4 and a molecular weight of 334.33 g/mol. Its IUPAC name is 6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine
PubChem CID90094988
Molecular FormulaC19H12F2N4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine
SMILESNc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(F)c3)cc12
InChIInChI=1S/C19H12F2N4/c20-15-5-3-12(9-16(15)21)18-13(2-1-7-23-18)11-4-6-17-14(8-11)19(22)25-10-24-17/h1-10H,(H2,22,24,25)
InChIKeyLQWVLHUZJAAOGF-UHFFFAOYSA-N
XLogP4.22
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine?
The IUPAC name of 6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine (CID 90094988) is 6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for 6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine?
The canonical SMILES for 6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine is Nc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(F)c3)cc12.
What is the InChIKey of 6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine?
The InChIKey is LQWVLHUZJAAOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N4/c20-15-5-3-12(9-16(15)21)18-13(2-1-7-23-18)11-4-6-17-14(8-11)19(22)25-10-24-17/h1-10H,(H2,22,24,25).
What are the key properties of 6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine?
6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine has a molecular weight of 334.33 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 90094988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).