6-fluoro-4-methyl-2-piperidin-1-ylquinazoline

C14H16FN3 — CID 139333383

IUPAC6-fluoro-4-methyl-2-piperidin-1-ylquinazoline
SMILESCc1nc(N2CCCCC2)nc2ccc(F)cc12
InChIInChI=1S/C14H16FN3/c1-10-12-9-11(15)5-6-13(12)17-14(16-10)18-7-3-2-4-8-18/h5-6,9H,2-4,7-8H2,1H3
InChIKeyDKNUGRXXVCWAAU-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.07
Rot. Bonds1

About 6-fluoro-4-methyl-2-piperidin-1-ylquinazoline

6-fluoro-4-methyl-2-piperidin-1-ylquinazoline (PubChem CID 139333383) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 6-fluoro-4-methyl-2-piperidin-1-ylquinazoline.

Molecular Properties

Compound Name6-fluoro-4-methyl-2-piperidin-1-ylquinazoline
PubChem CID139333383
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name6-fluoro-4-methyl-2-piperidin-1-ylquinazoline
SMILESCc1nc(N2CCCCC2)nc2ccc(F)cc12
InChIInChI=1S/C14H16FN3/c1-10-12-9-11(15)5-6-13(12)17-14(16-10)18-7-3-2-4-8-18/h5-6,9H,2-4,7-8H2,1H3
InChIKeyDKNUGRXXVCWAAU-UHFFFAOYSA-N
XLogP3.07
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methyl-2-piperidin-1-ylquinazoline?
The IUPAC name of 6-fluoro-4-methyl-2-piperidin-1-ylquinazoline (CID 139333383) is 6-fluoro-4-methyl-2-piperidin-1-ylquinazoline.
What is the SMILES notation for 6-fluoro-4-methyl-2-piperidin-1-ylquinazoline?
The canonical SMILES for 6-fluoro-4-methyl-2-piperidin-1-ylquinazoline is Cc1nc(N2CCCCC2)nc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-4-methyl-2-piperidin-1-ylquinazoline?
The InChIKey is DKNUGRXXVCWAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-10-12-9-11(15)5-6-13(12)17-14(16-10)18-7-3-2-4-8-18/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 6-fluoro-4-methyl-2-piperidin-1-ylquinazoline?
6-fluoro-4-methyl-2-piperidin-1-ylquinazoline has a molecular weight of 245.30 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methyl-2-piperidin-1-ylquinazoline is sourced from PubChem (CID 139333383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).