4-(2,3-dimethylpyrrolidin-1-yl)-7-fluoro-6-methoxyquinazoline

C15H18FN3O — CID 133492499

IUPAC4-(2,3-dimethylpyrrolidin-1-yl)-7-fluoro-6-methoxyquinazoline
SMILESCOc1cc2c(N3CCC(C)C3C)ncnc2cc1F
InChIInChI=1S/C15H18FN3O/c1-9-4-5-19(10(9)2)15-11-6-14(20-3)12(16)7-13(11)17-8-18-15/h6-10H,4-5H2,1-3H3
InChIKeyJUOKFGGTBDXRMP-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.01
Rot. Bonds2

About 4-(2,3-dimethylpyrrolidin-1-yl)-7-fluoro-6-methoxyquinazoline

4-(2,3-dimethylpyrrolidin-1-yl)-7-fluoro-6-methoxyquinazoline (PubChem CID 133492499) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-(2,3-dimethylpyrrolidin-1-yl)-7-fluoro-6-methoxyquinazoline.

Molecular Properties

Compound Name4-(2,3-dimethylpyrrolidin-1-yl)-7-fluoro-6-methoxyquinazoline
PubChem CID133492499
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name4-(2,3-dimethylpyrrolidin-1-yl)-7-fluoro-6-methoxyquinazoline
SMILESCOc1cc2c(N3CCC(C)C3C)ncnc2cc1F
InChIInChI=1S/C15H18FN3O/c1-9-4-5-19(10(9)2)15-11-6-14(20-3)12(16)7-13(11)17-8-18-15/h6-10H,4-5H2,1-3H3
InChIKeyJUOKFGGTBDXRMP-UHFFFAOYSA-N
XLogP3.01
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylpyrrolidin-1-yl)-7-fluoro-6-methoxyquinazoline?
The IUPAC name of 4-(2,3-dimethylpyrrolidin-1-yl)-7-fluoro-6-methoxyquinazoline (CID 133492499) is 4-(2,3-dimethylpyrrolidin-1-yl)-7-fluoro-6-methoxyquinazoline.
What is the SMILES notation for 4-(2,3-dimethylpyrrolidin-1-yl)-7-fluoro-6-methoxyquinazoline?
The canonical SMILES for 4-(2,3-dimethylpyrrolidin-1-yl)-7-fluoro-6-methoxyquinazoline is COc1cc2c(N3CCC(C)C3C)ncnc2cc1F.
What is the InChIKey of 4-(2,3-dimethylpyrrolidin-1-yl)-7-fluoro-6-methoxyquinazoline?
The InChIKey is JUOKFGGTBDXRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-9-4-5-19(10(9)2)15-11-6-14(20-3)12(16)7-13(11)17-8-18-15/h6-10H,4-5H2,1-3H3.
What are the key properties of 4-(2,3-dimethylpyrrolidin-1-yl)-7-fluoro-6-methoxyquinazoline?
4-(2,3-dimethylpyrrolidin-1-yl)-7-fluoro-6-methoxyquinazoline has a molecular weight of 275.33 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylpyrrolidin-1-yl)-7-fluoro-6-methoxyquinazoline is sourced from PubChem (CID 133492499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).