3-(3-fluorophenyl)-N-(4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)propanamide

C21H21FN4O2 — CID 46195575

IUPAC3-(3-fluorophenyl)-N-(4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)propanamide
SMILESO=C(CCc1cccc(F)c1)Nn1c(N2CCCC2)nc2ccccc2c1=O
InChIInChI=1S/C21H21FN4O2/c22-16-7-5-6-15(14-16)10-11-19(27)24-26-20(28)17-8-1-2-9-18(17)23-21(26)25-12-3-4-13-25/h1-2,5-9,14H,3-4,10-13H2,(H,24,27)
InChIKeyNMRWEJZZIYFIHC-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.84
Rot. Bonds5

About 3-(3-fluorophenyl)-N-(4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)propanamide

3-(3-fluorophenyl)-N-(4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)propanamide (PubChem CID 46195575) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)propanamide
PubChem CID46195575
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name3-(3-fluorophenyl)-N-(4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)propanamide
SMILESO=C(CCc1cccc(F)c1)Nn1c(N2CCCC2)nc2ccccc2c1=O
InChIInChI=1S/C21H21FN4O2/c22-16-7-5-6-15(14-16)10-11-19(27)24-26-20(28)17-8-1-2-9-18(17)23-21(26)25-12-3-4-13-25/h1-2,5-9,14H,3-4,10-13H2,(H,24,27)
InChIKeyNMRWEJZZIYFIHC-UHFFFAOYSA-N
XLogP2.84
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-difluorophenyl)-N-(8-fluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)acetamide
CID 25119279
N-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide
CID 70838371
N-[7-fluoro-4-oxo-2-(2,2,2-trifluoroethyl)quinazolin-3-yl]-3-(3-fluorophenyl)propanamide
CID 70838736
N-benzyl-3-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)propanamide
CID 50844325
3-(3-fluorophenyl)-N-[4-oxo-2-propyl-8-(trifluoromethyl)quinazolin-3-yl]propanamide
CID 70838804
N-(5,7-difluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide
CID 25117842
3-benzyl-2-pyrrolidin-1-ylquinazolin-4-one
CID 126457829
2-(3,5-difluorophenyl)-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 70838580
N-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-4-methoxybenzamide
CID 3574138
N-[(3-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137292595
N-(2-ethyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide
CID 70838611
N-[7-fluoro-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide
CID 70838791

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)propanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-(4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)propanamide (CID 46195575) is 3-(3-fluorophenyl)-N-(4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-(4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)propanamide is O=C(CCc1cccc(F)c1)Nn1c(N2CCCC2)nc2ccccc2c1=O.
What is the InChIKey of 3-(3-fluorophenyl)-N-(4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)propanamide?
The InChIKey is NMRWEJZZIYFIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-16-7-5-6-15(14-16)10-11-19(27)24-26-20(28)17-8-1-2-9-18(17)23-21(26)25-12-3-4-13-25/h1-2,5-9,14H,3-4,10-13H2,(H,24,27).
What are the key properties of 3-(3-fluorophenyl)-N-(4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)propanamide?
3-(3-fluorophenyl)-N-(4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)propanamide has a molecular weight of 380.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-(4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)propanamide is sourced from PubChem (CID 46195575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).