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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Related Compounds

7-fluoro-6-methoxy-4-pyrrolidin-1-ylquinazoline
CID 133475447
4-[1-(7-fluoro-6-methoxyquinazolin-4-yl)-4-methylpyrrolidin-3-yl]morpholine
CID 127922091
4-(7-fluoro-6-methoxyquinazolin-4-yl)-2-(oxolan-2-yl)morpholine
CID 133493384
2-[1-(7-fluoro-6-methoxyquinazolin-4-yl)piperidin-4-yl]-1,3-benzothiazole
CID 133475540
1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 21487876
7-(7-fluoro-6-methoxyquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 133493393
2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 133475566
2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 133475633
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
3-[1-(6,7-dimethoxyquinazolin-4-yl)-2-methylpiperidin-4-yl]-5-propan-2-ylimidazolidine-2,4-dione
CID 70044780
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline
CID 21002947

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).