4-(3,3-difluoropyrrolidin-1-yl)-6-methylquinazoline

C13H13F2N3 — CID 136520741

IUPAC4-(3,3-difluoropyrrolidin-1-yl)-6-methylquinazoline
SMILESCc1ccc2ncnc(N3CCC(F)(F)C3)c2c1
InChIInChI=1S/C13H13F2N3/c1-9-2-3-11-10(6-9)12(17-8-16-11)18-5-4-13(14,15)7-18/h2-3,6,8H,4-5,7H2,1H3
InChIKeyFIAXDKNRGQTJSX-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.78
Rot. Bonds1

About 4-(3,3-difluoropyrrolidin-1-yl)-6-methylquinazoline

4-(3,3-difluoropyrrolidin-1-yl)-6-methylquinazoline (PubChem CID 136520741) has the molecular formula C13H13F2N3 and a molecular weight of 249.26 g/mol. Its IUPAC name is 4-(3,3-difluoropyrrolidin-1-yl)-6-methylquinazoline.

Molecular Properties

Compound Name4-(3,3-difluoropyrrolidin-1-yl)-6-methylquinazoline
PubChem CID136520741
Molecular FormulaC13H13F2N3
Molecular Weight249.26 g/mol
Exact Mass249.11
IUPAC Name4-(3,3-difluoropyrrolidin-1-yl)-6-methylquinazoline
SMILESCc1ccc2ncnc(N3CCC(F)(F)C3)c2c1
InChIInChI=1S/C13H13F2N3/c1-9-2-3-11-10(6-9)12(17-8-16-11)18-5-4-13(14,15)7-18/h2-3,6,8H,4-5,7H2,1H3
InChIKeyFIAXDKNRGQTJSX-UHFFFAOYSA-N
XLogP2.78
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,3-difluoropyrrolidin-1-yl)pyrido[3,4-d]pyrimidine
CID 163348985
(1S,3R)-3-ethoxy-7-(6-methylquinazolin-4-yl)-7-azaspiro[3.5]nonan-1-ol
CID 97100878
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylquinazoline
CID 112843750
4-(4-cyclohexyloxypiperidin-1-yl)-6-methylquinazoline
CID 133278333
[methylamino-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]methylidene]vanadium
CID 59928286
trans-(1S,2S)-2-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]cyclohexan-1-ol
CID 56853258
6-methyl-4-(3-methylsulfanylazepan-1-yl)quinazoline
CID 133395119
4,6-dimethylquinazoline;ethane
CID 91475450
6-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline
CID 133300671
4-[3-ethoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]-6-methylquinazoline
CID 166284186
4-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-6-methylquinazoline
CID 112843812
4-(4,4-dimethylazepan-1-yl)quinazolin-6-amine
CID 65283622

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropyrrolidin-1-yl)-6-methylquinazoline?
The IUPAC name of 4-(3,3-difluoropyrrolidin-1-yl)-6-methylquinazoline (CID 136520741) is 4-(3,3-difluoropyrrolidin-1-yl)-6-methylquinazoline.
What is the SMILES notation for 4-(3,3-difluoropyrrolidin-1-yl)-6-methylquinazoline?
The canonical SMILES for 4-(3,3-difluoropyrrolidin-1-yl)-6-methylquinazoline is Cc1ccc2ncnc(N3CCC(F)(F)C3)c2c1.
What is the InChIKey of 4-(3,3-difluoropyrrolidin-1-yl)-6-methylquinazoline?
The InChIKey is FIAXDKNRGQTJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3/c1-9-2-3-11-10(6-9)12(17-8-16-11)18-5-4-13(14,15)7-18/h2-3,6,8H,4-5,7H2,1H3.
What are the key properties of 4-(3,3-difluoropyrrolidin-1-yl)-6-methylquinazoline?
4-(3,3-difluoropyrrolidin-1-yl)-6-methylquinazoline has a molecular weight of 249.26 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropyrrolidin-1-yl)-6-methylquinazoline is sourced from PubChem (CID 136520741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).