8-bromo-4-chloro-2-(4,4-difluoropiperidin-1-yl)-6-methylquinazoline

C14H13BrClF2N3 — CID 169154857

IUPAC8-bromo-4-chloro-2-(4,4-difluoropiperidin-1-yl)-6-methylquinazoline
SMILESCc1cc(Br)c2nc(N3CCC(F)(F)CC3)nc(Cl)c2c1
InChIInChI=1S/C14H13BrClF2N3/c1-8-6-9-11(10(15)7-8)19-13(20-12(9)16)21-4-2-14(17,18)3-5-21/h6-7H,2-5H2,1H3
InChIKeyYAGHENITPJCDSA-UHFFFAOYSA-N
MW376.63 g/mol
LogP4.59
Rot. Bonds1

About 8-bromo-4-chloro-2-(4,4-difluoropiperidin-1-yl)-6-methylquinazoline

8-bromo-4-chloro-2-(4,4-difluoropiperidin-1-yl)-6-methylquinazoline (PubChem CID 169154857) has the molecular formula C14H13BrClF2N3 and a molecular weight of 376.63 g/mol. Its IUPAC name is 8-bromo-4-chloro-2-(4,4-difluoropiperidin-1-yl)-6-methylquinazoline.

Molecular Properties

Compound Name8-bromo-4-chloro-2-(4,4-difluoropiperidin-1-yl)-6-methylquinazoline
PubChem CID169154857
Molecular FormulaC14H13BrClF2N3
Molecular Weight376.63 g/mol
Exact Mass374.99
IUPAC Name8-bromo-4-chloro-2-(4,4-difluoropiperidin-1-yl)-6-methylquinazoline
SMILESCc1cc(Br)c2nc(N3CCC(F)(F)CC3)nc(Cl)c2c1
InChIInChI=1S/C14H13BrClF2N3/c1-8-6-9-11(10(15)7-8)19-13(20-12(9)16)21-4-2-14(17,18)3-5-21/h6-7H,2-5H2,1H3
InChIKeyYAGHENITPJCDSA-UHFFFAOYSA-N
XLogP4.59
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.63
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-chloro-2-(4,4-difluoropiperidin-1-yl)-6-methylquinazoline?
The IUPAC name of 8-bromo-4-chloro-2-(4,4-difluoropiperidin-1-yl)-6-methylquinazoline (CID 169154857) is 8-bromo-4-chloro-2-(4,4-difluoropiperidin-1-yl)-6-methylquinazoline.
What is the SMILES notation for 8-bromo-4-chloro-2-(4,4-difluoropiperidin-1-yl)-6-methylquinazoline?
The canonical SMILES for 8-bromo-4-chloro-2-(4,4-difluoropiperidin-1-yl)-6-methylquinazoline is Cc1cc(Br)c2nc(N3CCC(F)(F)CC3)nc(Cl)c2c1.
What is the InChIKey of 8-bromo-4-chloro-2-(4,4-difluoropiperidin-1-yl)-6-methylquinazoline?
The InChIKey is YAGHENITPJCDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClF2N3/c1-8-6-9-11(10(15)7-8)19-13(20-12(9)16)21-4-2-14(17,18)3-5-21/h6-7H,2-5H2,1H3.
What are the key properties of 8-bromo-4-chloro-2-(4,4-difluoropiperidin-1-yl)-6-methylquinazoline?
8-bromo-4-chloro-2-(4,4-difluoropiperidin-1-yl)-6-methylquinazoline has a molecular weight of 376.63 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-chloro-2-(4,4-difluoropiperidin-1-yl)-6-methylquinazoline is sourced from PubChem (CID 169154857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).