6-fluoro-4-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]quinazoline

C16H20FN3O2 — CID 133331936

IUPAC6-fluoro-4-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]quinazoline
SMILESCOCCOCC1CCN(c2ncnc3ccc(F)cc23)C1
InChIInChI=1S/C16H20FN3O2/c1-21-6-7-22-10-12-4-5-20(9-12)16-14-8-13(17)2-3-15(14)18-11-19-16/h2-3,8,11-12H,4-7,9-10H2,1H3
InChIKeyFGUMYMYZFQFUMR-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.26
Rot. Bonds6

About 6-fluoro-4-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]quinazoline

6-fluoro-4-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]quinazoline (PubChem CID 133331936) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 6-fluoro-4-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]quinazoline.

Molecular Properties

Compound Name6-fluoro-4-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]quinazoline
PubChem CID133331936
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name6-fluoro-4-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]quinazoline
SMILESCOCCOCC1CCN(c2ncnc3ccc(F)cc23)C1
InChIInChI=1S/C16H20FN3O2/c1-21-6-7-22-10-12-4-5-20(9-12)16-14-8-13(17)2-3-15(14)18-11-19-16/h2-3,8,11-12H,4-7,9-10H2,1H3
InChIKeyFGUMYMYZFQFUMR-UHFFFAOYSA-N
XLogP2.26
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline
CID 172882648
6-fluoro-4-[3-(3-methoxypropoxy)azetidin-1-yl]quinazoline
CID 133429803
4-(3-ethoxypiperidin-1-yl)-6-fluoroquinazoline
CID 133274317
1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid
CID 71563722
6-fluoro-4-(4-pyridin-4-ylpiperidin-1-yl)quinazoline
CID 126810422
6-fluoro-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]quinazoline
CID 163352972
6-fluoro-4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]quinazoline
CID 171702618
6-fluoro-4-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]quinazoline
CID 126891860
4-[4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]-6-fluoroquinazoline
CID 136518924
N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide
CID 142582682
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

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]quinazoline?
The IUPAC name of 6-fluoro-4-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]quinazoline (CID 133331936) is 6-fluoro-4-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]quinazoline.
What is the SMILES notation for 6-fluoro-4-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]quinazoline?
The canonical SMILES for 6-fluoro-4-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]quinazoline is COCCOCC1CCN(c2ncnc3ccc(F)cc23)C1.
What is the InChIKey of 6-fluoro-4-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]quinazoline?
The InChIKey is FGUMYMYZFQFUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-21-6-7-22-10-12-4-5-20(9-12)16-14-8-13(17)2-3-15(14)18-11-19-16/h2-3,8,11-12H,4-7,9-10H2,1H3.
What are the key properties of 6-fluoro-4-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]quinazoline?
6-fluoro-4-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]quinazoline has a molecular weight of 305.35 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]quinazoline is sourced from PubChem (CID 133331936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).