N-(3-fluorophenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide

C18H16FN3O2 — CID 135756626

IUPACN-(3-fluorophenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESO=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1cccc(F)c1
InChIInChI=1S/C18H16FN3O2/c19-12-5-3-6-13(11-12)20-17(23)10-4-9-16-21-15-8-2-1-7-14(15)18(24)22-16/h1-3,5-8,11H,4,9-10H2,(H,20,23)(H,21,22,24)
InChIKeyKKPJBPZZIXVCQL-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.02
Rot. Bonds5

About N-(3-fluorophenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide

N-(3-fluorophenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide (PubChem CID 135756626) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
PubChem CID135756626
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-(3-fluorophenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESO=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1cccc(F)c1
InChIInChI=1S/C18H16FN3O2/c19-12-5-3-6-13(11-12)20-17(23)10-4-9-16-21-15-8-2-1-7-14(15)18(24)22-16/h1-3,5-8,11H,4,9-10H2,(H,20,23)(H,21,22,24)
InChIKeyKKPJBPZZIXVCQL-UHFFFAOYSA-N
XLogP3.02
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-oxo-3H-quinazolin-2-yl)-N-(3-propan-2-ylphenyl)butanamide
CID 135888514
4-(4-oxo-3H-quinazolin-2-yl)-N-quinolin-3-ylbutanamide
CID 135939873
N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135848488
N-[(3-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137292595
N-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137258775
(2-anilino-2-oxoethyl) 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135782994
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135877243
N-(4-bromo-3-methylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135767361
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135886968
4-(4-oxo-3H-quinazolin-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide
CID 135675737
2-(3-fluorophenoxy)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide
CID 136767922
[2-(3-bromoanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135510202

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The IUPAC name of N-(3-fluorophenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide (CID 135756626) is N-(3-fluorophenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The canonical SMILES for N-(3-fluorophenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide is O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The InChIKey is KKPJBPZZIXVCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-12-5-3-6-13(11-12)20-17(23)10-4-9-16-21-15-8-2-1-7-14(15)18(24)22-16/h1-3,5-8,11H,4,9-10H2,(H,20,23)(H,21,22,24).
What are the key properties of N-(3-fluorophenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
N-(3-fluorophenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide has a molecular weight of 325.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide is sourced from PubChem (CID 135756626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).