4-(3-ethoxypiperidin-1-yl)-6-fluoroquinazoline

C15H18FN3O — CID 133274317

IUPAC4-(3-ethoxypiperidin-1-yl)-6-fluoroquinazoline
SMILESCCOC1CCCN(c2ncnc3ccc(F)cc23)C1
InChIInChI=1S/C15H18FN3O/c1-2-20-12-4-3-7-19(9-12)15-13-8-11(16)5-6-14(13)17-10-18-15/h5-6,8,10,12H,2-4,7,9H2,1H3
InChIKeyHZUULHDUCCSLPU-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.77
Rot. Bonds3

About 4-(3-ethoxypiperidin-1-yl)-6-fluoroquinazoline

4-(3-ethoxypiperidin-1-yl)-6-fluoroquinazoline (PubChem CID 133274317) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-(3-ethoxypiperidin-1-yl)-6-fluoroquinazoline.

Molecular Properties

Compound Name4-(3-ethoxypiperidin-1-yl)-6-fluoroquinazoline
PubChem CID133274317
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name4-(3-ethoxypiperidin-1-yl)-6-fluoroquinazoline
SMILESCCOC1CCCN(c2ncnc3ccc(F)cc23)C1
InChIInChI=1S/C15H18FN3O/c1-2-20-12-4-3-7-19(9-12)15-13-8-11(16)5-6-14(13)17-10-18-15/h5-6,8,10,12H,2-4,7,9H2,1H3
InChIKeyHZUULHDUCCSLPU-UHFFFAOYSA-N
XLogP2.77
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]quinazoline
CID 171702618
N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide
CID 142582682
6-fluoro-4-[3-(3-methoxypropoxy)azetidin-1-yl]quinazoline
CID 133429803
6-fluoro-4-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline
CID 133275711
6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline
CID 172882648
6-fluoro-4-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]quinazoline
CID 133331936
N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide
CID 166606135
N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclopropanecarboxamide
CID 166603435
4-[4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]-6-fluoroquinazoline
CID 136518924
4-(2-ethylpiperidin-1-yl)-6-fluoroquinazoline
CID 110433468
6-fluoro-4-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]quinazoline
CID 126891860
[6-(3-ethoxypiperidin-1-yl)-5-ethylpyrimidin-4-yl]hydrazine
CID 80905523

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxypiperidin-1-yl)-6-fluoroquinazoline?
The IUPAC name of 4-(3-ethoxypiperidin-1-yl)-6-fluoroquinazoline (CID 133274317) is 4-(3-ethoxypiperidin-1-yl)-6-fluoroquinazoline.
What is the SMILES notation for 4-(3-ethoxypiperidin-1-yl)-6-fluoroquinazoline?
The canonical SMILES for 4-(3-ethoxypiperidin-1-yl)-6-fluoroquinazoline is CCOC1CCCN(c2ncnc3ccc(F)cc23)C1.
What is the InChIKey of 4-(3-ethoxypiperidin-1-yl)-6-fluoroquinazoline?
The InChIKey is HZUULHDUCCSLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-2-20-12-4-3-7-19(9-12)15-13-8-11(16)5-6-14(13)17-10-18-15/h5-6,8,10,12H,2-4,7,9H2,1H3.
What are the key properties of 4-(3-ethoxypiperidin-1-yl)-6-fluoroquinazoline?
4-(3-ethoxypiperidin-1-yl)-6-fluoroquinazoline has a molecular weight of 275.33 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxypiperidin-1-yl)-6-fluoroquinazoline is sourced from PubChem (CID 133274317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).