6-chloro-7-(3-fluoro-1-methylpiperidin-4-yl)quinazoline

C14H15ClFN3 — CID 175881533

IUPAC6-chloro-7-(3-fluoro-1-methylpiperidin-4-yl)quinazoline
SMILESCN1CCC(c2cc3ncncc3cc2Cl)C(F)C1
InChIInChI=1S/C14H15ClFN3/c1-19-3-2-10(13(16)7-19)11-5-14-9(4-12(11)15)6-17-8-18-14/h4-6,8,10,13H,2-3,7H2,1H3
InChIKeyMRFRRLAQAWIKQB-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.04
Rot. Bonds1

About 6-chloro-7-(3-fluoro-1-methylpiperidin-4-yl)quinazoline

6-chloro-7-(3-fluoro-1-methylpiperidin-4-yl)quinazoline (PubChem CID 175881533) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 6-chloro-7-(3-fluoro-1-methylpiperidin-4-yl)quinazoline.

Molecular Properties

Compound Name6-chloro-7-(3-fluoro-1-methylpiperidin-4-yl)quinazoline
PubChem CID175881533
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name6-chloro-7-(3-fluoro-1-methylpiperidin-4-yl)quinazoline
SMILESCN1CCC(c2cc3ncncc3cc2Cl)C(F)C1
InChIInChI=1S/C14H15ClFN3/c1-19-3-2-10(13(16)7-19)11-5-14-9(4-12(11)15)6-17-8-18-14/h4-6,8,10,13H,2-3,7H2,1H3
InChIKeyMRFRRLAQAWIKQB-UHFFFAOYSA-N
XLogP3.04
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(3-fluoro-1-methylpiperidin-4-yl)quinazoline?
The IUPAC name of 6-chloro-7-(3-fluoro-1-methylpiperidin-4-yl)quinazoline (CID 175881533) is 6-chloro-7-(3-fluoro-1-methylpiperidin-4-yl)quinazoline.
What is the SMILES notation for 6-chloro-7-(3-fluoro-1-methylpiperidin-4-yl)quinazoline?
The canonical SMILES for 6-chloro-7-(3-fluoro-1-methylpiperidin-4-yl)quinazoline is CN1CCC(c2cc3ncncc3cc2Cl)C(F)C1.
What is the InChIKey of 6-chloro-7-(3-fluoro-1-methylpiperidin-4-yl)quinazoline?
The InChIKey is MRFRRLAQAWIKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-19-3-2-10(13(16)7-19)11-5-14-9(4-12(11)15)6-17-8-18-14/h4-6,8,10,13H,2-3,7H2,1H3.
What are the key properties of 6-chloro-7-(3-fluoro-1-methylpiperidin-4-yl)quinazoline?
6-chloro-7-(3-fluoro-1-methylpiperidin-4-yl)quinazoline has a molecular weight of 279.75 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(3-fluoro-1-methylpiperidin-4-yl)quinazoline is sourced from PubChem (CID 175881533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).