N-(2-fluorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide

C18H16FN3O2 — CID 4908980

IUPACN-(2-fluorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide
SMILESO=C(CCCn1cnc2ccccc2c1=O)Nc1ccccc1F
InChIInChI=1S/C18H16FN3O2/c19-14-7-2-4-9-16(14)21-17(23)10-5-11-22-12-20-15-8-3-1-6-13(15)18(22)24/h1-4,6-9,12H,5,10-11H2,(H,21,23)
InChIKeyYDNPJNQDONQSIR-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.95
Rot. Bonds5

About N-(2-fluorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide

N-(2-fluorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide (PubChem CID 4908980) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide
PubChem CID4908980
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-(2-fluorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide
SMILESO=C(CCCn1cnc2ccccc2c1=O)Nc1ccccc1F
InChIInChI=1S/C18H16FN3O2/c19-14-7-2-4-9-16(14)21-17(23)10-5-11-22-12-20-15-8-3-1-6-13(15)18(22)24/h1-4,6-9,12H,5,10-11H2,(H,21,23)
InChIKeyYDNPJNQDONQSIR-UHFFFAOYSA-N
XLogP2.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide?
The IUPAC name of N-(2-fluorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide (CID 4908980) is N-(2-fluorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide?
The canonical SMILES for N-(2-fluorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide is O=C(CCCn1cnc2ccccc2c1=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide?
The InChIKey is YDNPJNQDONQSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-14-7-2-4-9-16(14)21-17(23)10-5-11-22-12-20-15-8-3-1-6-13(15)18(22)24/h1-4,6-9,12H,5,10-11H2,(H,21,23).
What are the key properties of N-(2-fluorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide?
N-(2-fluorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide has a molecular weight of 325.34 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide is sourced from PubChem (CID 4908980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).