4-(4,4-difluoropiperidin-1-yl)-2-pyridin-4-ylquinazoline

C18H16F2N4 — CID 71296020

IUPAC4-(4,4-difluoropiperidin-1-yl)-2-pyridin-4-ylquinazoline
SMILESFC1(F)CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1
InChIInChI=1S/C18H16F2N4/c19-18(20)7-11-24(12-8-18)17-14-3-1-2-4-15(14)22-16(23-17)13-5-9-21-10-6-13/h1-6,9-10H,7-8,11-12H2
InChIKeyBQEFBPKSONSGIL-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.93
Rot. Bonds2

About 4-(4,4-difluoropiperidin-1-yl)-2-pyridin-4-ylquinazoline

4-(4,4-difluoropiperidin-1-yl)-2-pyridin-4-ylquinazoline (PubChem CID 71296020) has the molecular formula C18H16F2N4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 4-(4,4-difluoropiperidin-1-yl)-2-pyridin-4-ylquinazoline.

Molecular Properties

Compound Name4-(4,4-difluoropiperidin-1-yl)-2-pyridin-4-ylquinazoline
PubChem CID71296020
Molecular FormulaC18H16F2N4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name4-(4,4-difluoropiperidin-1-yl)-2-pyridin-4-ylquinazoline
SMILESFC1(F)CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1
InChIInChI=1S/C18H16F2N4/c19-18(20)7-11-24(12-8-18)17-14-3-1-2-4-15(14)22-16(23-17)13-5-9-21-10-6-13/h1-6,9-10H,7-8,11-12H2
InChIKeyBQEFBPKSONSGIL-UHFFFAOYSA-N
XLogP3.93
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-2-pyridin-4-ylquinazoline?
The IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-2-pyridin-4-ylquinazoline (CID 71296020) is 4-(4,4-difluoropiperidin-1-yl)-2-pyridin-4-ylquinazoline.
What is the SMILES notation for 4-(4,4-difluoropiperidin-1-yl)-2-pyridin-4-ylquinazoline?
The canonical SMILES for 4-(4,4-difluoropiperidin-1-yl)-2-pyridin-4-ylquinazoline is FC1(F)CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1.
What is the InChIKey of 4-(4,4-difluoropiperidin-1-yl)-2-pyridin-4-ylquinazoline?
The InChIKey is BQEFBPKSONSGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4/c19-18(20)7-11-24(12-8-18)17-14-3-1-2-4-15(14)22-16(23-17)13-5-9-21-10-6-13/h1-6,9-10H,7-8,11-12H2.
What are the key properties of 4-(4,4-difluoropiperidin-1-yl)-2-pyridin-4-ylquinazoline?
4-(4,4-difluoropiperidin-1-yl)-2-pyridin-4-ylquinazoline has a molecular weight of 326.35 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluoropiperidin-1-yl)-2-pyridin-4-ylquinazoline is sourced from PubChem (CID 71296020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).