3-(3-fluoro-4-pyridinyl)-4H-quinazoline

C13H10FN3 — CID 175719929

IUPAC3-(3-fluoro-4-pyridinyl)-4H-quinazoline
SMILESFc1cnccc1N1C=Nc2ccccc2C1
InChIInChI=1S/C13H10FN3/c14-11-7-15-6-5-13(11)17-8-10-3-1-2-4-12(10)16-9-17/h1-7,9H,8H2
InChIKeyQXRUBLDUJZRXAM-UHFFFAOYSA-N
MW227.24 g/mol
LogP2.90
Rot. Bonds1

About 3-(3-fluoro-4-pyridinyl)-4H-quinazoline

3-(3-fluoro-4-pyridinyl)-4H-quinazoline (PubChem CID 175719929) has the molecular formula C13H10FN3 and a molecular weight of 227.24 g/mol. Its IUPAC name is 3-(3-fluoro-4-pyridinyl)-4H-quinazoline.

Molecular Properties

Compound Name3-(3-fluoro-4-pyridinyl)-4H-quinazoline
PubChem CID175719929
Molecular FormulaC13H10FN3
Molecular Weight227.24 g/mol
Exact Mass227.09
IUPAC Name3-(3-fluoro-4-pyridinyl)-4H-quinazoline
SMILESFc1cnccc1N1C=Nc2ccccc2C1
InChIInChI=1S/C13H10FN3/c14-11-7-15-6-5-13(11)17-8-10-3-1-2-4-12(10)16-9-17/h1-7,9H,8H2
InChIKeyQXRUBLDUJZRXAM-UHFFFAOYSA-N
XLogP2.90
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-pyridinyl)-4H-quinazoline?
The IUPAC name of 3-(3-fluoro-4-pyridinyl)-4H-quinazoline (CID 175719929) is 3-(3-fluoro-4-pyridinyl)-4H-quinazoline.
What is the SMILES notation for 3-(3-fluoro-4-pyridinyl)-4H-quinazoline?
The canonical SMILES for 3-(3-fluoro-4-pyridinyl)-4H-quinazoline is Fc1cnccc1N1C=Nc2ccccc2C1.
What is the InChIKey of 3-(3-fluoro-4-pyridinyl)-4H-quinazoline?
The InChIKey is QXRUBLDUJZRXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3/c14-11-7-15-6-5-13(11)17-8-10-3-1-2-4-12(10)16-9-17/h1-7,9H,8H2.
What are the key properties of 3-(3-fluoro-4-pyridinyl)-4H-quinazoline?
3-(3-fluoro-4-pyridinyl)-4H-quinazoline has a molecular weight of 227.24 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-pyridinyl)-4H-quinazoline is sourced from PubChem (CID 175719929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).