7-(3-fluorophenyl)-3-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-one

C20H20FN3O — CID 70644536

IUPAC7-(3-fluorophenyl)-3-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-one
SMILESCN1CCCC1Cn1cnc2cc(-c3cccc(F)c3)ccc2c1=O
InChIInChI=1S/C20H20FN3O/c1-23-9-3-6-17(23)12-24-13-22-19-11-15(7-8-18(19)20(24)25)14-4-2-5-16(21)10-14/h2,4-5,7-8,10-11,13,17H,3,6,9,12H2,1H3
InChIKeyNSOGLILHGIBBFG-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.30
Rot. Bonds3

About 7-(3-fluorophenyl)-3-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-one

7-(3-fluorophenyl)-3-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-one (PubChem CID 70644536) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-3-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name7-(3-fluorophenyl)-3-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-one
PubChem CID70644536
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name7-(3-fluorophenyl)-3-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-one
SMILESCN1CCCC1Cn1cnc2cc(-c3cccc(F)c3)ccc2c1=O
InChIInChI=1S/C20H20FN3O/c1-23-9-3-6-17(23)12-24-13-22-19-11-15(7-8-18(19)20(24)25)14-4-2-5-16(21)10-14/h2,4-5,7-8,10-11,13,17H,3,6,9,12H2,1H3
InChIKeyNSOGLILHGIBBFG-UHFFFAOYSA-N
XLogP3.30
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)-3-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-one?
The IUPAC name of 7-(3-fluorophenyl)-3-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-one (CID 70644536) is 7-(3-fluorophenyl)-3-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 7-(3-fluorophenyl)-3-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-one?
The canonical SMILES for 7-(3-fluorophenyl)-3-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-one is CN1CCCC1Cn1cnc2cc(-c3cccc(F)c3)ccc2c1=O.
What is the InChIKey of 7-(3-fluorophenyl)-3-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-one?
The InChIKey is NSOGLILHGIBBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-23-9-3-6-17(23)12-24-13-22-19-11-15(7-8-18(19)20(24)25)14-4-2-5-16(21)10-14/h2,4-5,7-8,10-11,13,17H,3,6,9,12H2,1H3.
What are the key properties of 7-(3-fluorophenyl)-3-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-one?
7-(3-fluorophenyl)-3-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-one has a molecular weight of 337.40 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)-3-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 70644536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).