7-fluoro-6-methoxy-4-pyrrolidin-1-ylquinazoline

C13H14FN3O — CID 133475447

IUPAC7-fluoro-6-methoxy-4-pyrrolidin-1-ylquinazoline
SMILESCOc1cc2c(N3CCCC3)ncnc2cc1F
InChIInChI=1S/C13H14FN3O/c1-18-12-6-9-11(7-10(12)14)15-8-16-13(9)17-4-2-3-5-17/h6-8H,2-5H2,1H3
InChIKeySYRNMOGLKMDRAY-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.38
Rot. Bonds2

About 7-fluoro-6-methoxy-4-pyrrolidin-1-ylquinazoline

7-fluoro-6-methoxy-4-pyrrolidin-1-ylquinazoline (PubChem CID 133475447) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 7-fluoro-6-methoxy-4-pyrrolidin-1-ylquinazoline.

Molecular Properties

Compound Name7-fluoro-6-methoxy-4-pyrrolidin-1-ylquinazoline
PubChem CID133475447
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name7-fluoro-6-methoxy-4-pyrrolidin-1-ylquinazoline
SMILESCOc1cc2c(N3CCCC3)ncnc2cc1F
InChIInChI=1S/C13H14FN3O/c1-18-12-6-9-11(7-10(12)14)15-8-16-13(9)17-4-2-3-5-17/h6-8H,2-5H2,1H3
InChIKeySYRNMOGLKMDRAY-UHFFFAOYSA-N
XLogP2.38
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 133475633
4-(7-fluoro-6-methoxyquinazolin-4-yl)-2-(oxolan-2-yl)morpholine
CID 133493384
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
4-(2,3-dimethylpyrrolidin-1-yl)-7-fluoro-6-methoxyquinazoline
CID 133492499
7-(7-fluoro-6-methoxyquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 133493393
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
4-(azetidin-1-yl)-6-ethyl-7-methoxyquinazoline
CID 176978917
4-[1-(7-fluoro-6-methoxyquinazolin-4-yl)-4-methylpyrrolidin-3-yl]morpholine
CID 127922091
2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 133475566
2-[1-(7-fluoro-6-methoxyquinazolin-4-yl)piperidin-4-yl]-1,3-benzothiazole
CID 133475540
4-(azepan-1-yl)-6,7,8-trimethoxyquinazoline
CID 110433392
4-(azepan-1-yl)-7-methoxyquinazoline
CID 110433303

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methoxy-4-pyrrolidin-1-ylquinazoline?
The IUPAC name of 7-fluoro-6-methoxy-4-pyrrolidin-1-ylquinazoline (CID 133475447) is 7-fluoro-6-methoxy-4-pyrrolidin-1-ylquinazoline.
What is the SMILES notation for 7-fluoro-6-methoxy-4-pyrrolidin-1-ylquinazoline?
The canonical SMILES for 7-fluoro-6-methoxy-4-pyrrolidin-1-ylquinazoline is COc1cc2c(N3CCCC3)ncnc2cc1F.
What is the InChIKey of 7-fluoro-6-methoxy-4-pyrrolidin-1-ylquinazoline?
The InChIKey is SYRNMOGLKMDRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-18-12-6-9-11(7-10(12)14)15-8-16-13(9)17-4-2-3-5-17/h6-8H,2-5H2,1H3.
What are the key properties of 7-fluoro-6-methoxy-4-pyrrolidin-1-ylquinazoline?
7-fluoro-6-methoxy-4-pyrrolidin-1-ylquinazoline has a molecular weight of 247.27 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methoxy-4-pyrrolidin-1-ylquinazoline is sourced from PubChem (CID 133475447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).