6-fluoro-4-(4-pyridin-4-ylpiperidin-1-yl)quinazoline

C18H17FN4 — CID 126810422

IUPAC6-fluoro-4-(4-pyridin-4-ylpiperidin-1-yl)quinazoline
SMILESFc1ccc2ncnc(N3CCC(c4ccncc4)CC3)c2c1
InChIInChI=1S/C18H17FN4/c19-15-1-2-17-16(11-15)18(22-12-21-17)23-9-5-14(6-10-23)13-3-7-20-8-4-13/h1-4,7-8,11-12,14H,5-6,9-10H2
InChIKeyDZVGCQZGHRQARB-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.55
Rot. Bonds2

About 6-fluoro-4-(4-pyridin-4-ylpiperidin-1-yl)quinazoline

6-fluoro-4-(4-pyridin-4-ylpiperidin-1-yl)quinazoline (PubChem CID 126810422) has the molecular formula C18H17FN4 and a molecular weight of 308.36 g/mol. Its IUPAC name is 6-fluoro-4-(4-pyridin-4-ylpiperidin-1-yl)quinazoline.

Molecular Properties

Compound Name6-fluoro-4-(4-pyridin-4-ylpiperidin-1-yl)quinazoline
PubChem CID126810422
Molecular FormulaC18H17FN4
Molecular Weight308.36 g/mol
Exact Mass308.14
IUPAC Name6-fluoro-4-(4-pyridin-4-ylpiperidin-1-yl)quinazoline
SMILESFc1ccc2ncnc(N3CCC(c4ccncc4)CC3)c2c1
InChIInChI=1S/C18H17FN4/c19-15-1-2-17-16(11-15)18(22-12-21-17)23-9-5-14(6-10-23)13-3-7-20-8-4-13/h1-4,7-8,11-12,14H,5-6,9-10H2
InChIKeyDZVGCQZGHRQARB-UHFFFAOYSA-N
XLogP3.55
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-(4-pyridin-4-ylpiperidin-1-yl)quinazoline?
The IUPAC name of 6-fluoro-4-(4-pyridin-4-ylpiperidin-1-yl)quinazoline (CID 126810422) is 6-fluoro-4-(4-pyridin-4-ylpiperidin-1-yl)quinazoline.
What is the SMILES notation for 6-fluoro-4-(4-pyridin-4-ylpiperidin-1-yl)quinazoline?
The canonical SMILES for 6-fluoro-4-(4-pyridin-4-ylpiperidin-1-yl)quinazoline is Fc1ccc2ncnc(N3CCC(c4ccncc4)CC3)c2c1.
What is the InChIKey of 6-fluoro-4-(4-pyridin-4-ylpiperidin-1-yl)quinazoline?
The InChIKey is DZVGCQZGHRQARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4/c19-15-1-2-17-16(11-15)18(22-12-21-17)23-9-5-14(6-10-23)13-3-7-20-8-4-13/h1-4,7-8,11-12,14H,5-6,9-10H2.
What are the key properties of 6-fluoro-4-(4-pyridin-4-ylpiperidin-1-yl)quinazoline?
6-fluoro-4-(4-pyridin-4-ylpiperidin-1-yl)quinazoline has a molecular weight of 308.36 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-(4-pyridin-4-ylpiperidin-1-yl)quinazoline is sourced from PubChem (CID 126810422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).