6-fluoro-4-[3-(3-methoxypropoxy)azetidin-1-yl]quinazoline

C15H18FN3O2 — CID 133429803

IUPAC6-fluoro-4-[3-(3-methoxypropoxy)azetidin-1-yl]quinazoline
SMILESCOCCCOC1CN(c2ncnc3ccc(F)cc23)C1
InChIInChI=1S/C15H18FN3O2/c1-20-5-2-6-21-12-8-19(9-12)15-13-7-11(16)3-4-14(13)17-10-18-15/h3-4,7,10,12H,2,5-6,8-9H2,1H3
InChIKeyVTJBMZDCXQETRB-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.01
Rot. Bonds6

About 6-fluoro-4-[3-(3-methoxypropoxy)azetidin-1-yl]quinazoline

6-fluoro-4-[3-(3-methoxypropoxy)azetidin-1-yl]quinazoline (PubChem CID 133429803) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 6-fluoro-4-[3-(3-methoxypropoxy)azetidin-1-yl]quinazoline.

Molecular Properties

Compound Name6-fluoro-4-[3-(3-methoxypropoxy)azetidin-1-yl]quinazoline
PubChem CID133429803
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name6-fluoro-4-[3-(3-methoxypropoxy)azetidin-1-yl]quinazoline
SMILESCOCCCOC1CN(c2ncnc3ccc(F)cc23)C1
InChIInChI=1S/C15H18FN3O2/c1-20-5-2-6-21-12-8-19(9-12)15-13-7-11(16)3-4-14(13)17-10-18-15/h3-4,7,10,12H,2,5-6,8-9H2,1H3
InChIKeyVTJBMZDCXQETRB-UHFFFAOYSA-N
XLogP2.01
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.01
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-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]quinazoline
CID 133331936
4-(3-ethoxypiperidin-1-yl)-6-fluoroquinazoline
CID 133274317
6-fluoro-4-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]quinazoline
CID 126891860
6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline
CID 172882648
6-fluoro-4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]quinazoline
CID 171702618
4-[1-(6-fluoroquinazolin-4-yl)azetidin-3-yl]oxypyridine-2-carboxamide
CID 146079958
6-fluoro-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]quinazoline
CID 163352972
4-[4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]-6-fluoroquinazoline
CID 136518924
6-fluoro-4-(4-pyridin-4-ylpiperidin-1-yl)quinazoline
CID 126810422
12-[3-(3-methoxypropoxy)azetidin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
CID 133350109
4-[3-(2,6-dimethylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-6-fluoroquinazoline
CID 175650939
(3S,4R)-1-(6-fluoroquinazolin-4-yl)-4-(1-methylimidazol-4-yl)pyrrolidin-3-amine
CID 167953395

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[3-(3-methoxypropoxy)azetidin-1-yl]quinazoline?
The IUPAC name of 6-fluoro-4-[3-(3-methoxypropoxy)azetidin-1-yl]quinazoline (CID 133429803) is 6-fluoro-4-[3-(3-methoxypropoxy)azetidin-1-yl]quinazoline.
What is the SMILES notation for 6-fluoro-4-[3-(3-methoxypropoxy)azetidin-1-yl]quinazoline?
The canonical SMILES for 6-fluoro-4-[3-(3-methoxypropoxy)azetidin-1-yl]quinazoline is COCCCOC1CN(c2ncnc3ccc(F)cc23)C1.
What is the InChIKey of 6-fluoro-4-[3-(3-methoxypropoxy)azetidin-1-yl]quinazoline?
The InChIKey is VTJBMZDCXQETRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-20-5-2-6-21-12-8-19(9-12)15-13-7-11(16)3-4-14(13)17-10-18-15/h3-4,7,10,12H,2,5-6,8-9H2,1H3.
What are the key properties of 6-fluoro-4-[3-(3-methoxypropoxy)azetidin-1-yl]quinazoline?
6-fluoro-4-[3-(3-methoxypropoxy)azetidin-1-yl]quinazoline has a molecular weight of 291.33 g/mol, XLogP of 2.01, 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-(3-methoxypropoxy)azetidin-1-yl]quinazoline is sourced from PubChem (CID 133429803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).