[(1R)-1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl] acetate

C19H17FN2O3 — CID 121455170

IUPAC[(1R)-1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl] acetate
SMILESCC[C@@H](OC(C)=O)c1nc2cccc(F)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C19H17FN2O3/c1-3-16(25-12(2)23)18-21-15-11-7-10-14(20)17(15)19(24)22(18)13-8-5-4-6-9-13/h4-11,16H,3H2,1-2H3/t16-/m1/s1
InChIKeyPJXRVIMRABAIRQ-MRXNPFEDSA-N
MW340.35 g/mol
LogP3.54
Rot. Bonds4

About [(1R)-1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl] acetate

[(1R)-1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl] acetate (PubChem CID 121455170) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is [(1R)-1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl] acetate.

Molecular Properties

Compound Name[(1R)-1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl] acetate
PubChem CID121455170
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name[(1R)-1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl] acetate
SMILESCC[C@@H](OC(C)=O)c1nc2cccc(F)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C19H17FN2O3/c1-3-16(25-12(2)23)18-21-15-11-7-10-14(20)17(15)19(24)22(18)13-8-5-4-6-9-13/h4-11,16H,3H2,1-2H3/t16-/m1/s1
InChIKeyPJXRVIMRABAIRQ-MRXNPFEDSA-N
XLogP3.54
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[amino(hydroxy)methyl]-5-fluoro-3-phenylquinazolin-4-one
CID 144894826
tert-butyl N-[(1S)-1-deuterio-1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl]carbamate
CID 140814473
lithium 5-fluoro-4-oxo-3-phenylquinazoline-2-carboxylate
CID 139035725
5-fluoro-2-[(1S)-1-(1H-indol-4-ylamino)propyl]-3-phenylquinazolin-4-one
CID 129166392
5-chloro-2-[1-[(5-fluoroquinazolin-4-yl)amino]propyl]-3-phenylquinazolin-4-one
CID 155191460
[(2S)-2-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)-3,3-dimethylbutan-2-yl] carbamate
CID 122655078
2-(1-aminopropyl)-5-chloro-3-phenylquinazolin-4-one;hydrochloride
CID 155191424
5-fluoro-3-phenyl-2-[(1S)-1-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)propyl]quinazolin-4-one
CID 86272385
2-[(1S)-1-deuterio-1-[(2-deuterio-3,7-dihydropurin-6-ylidene)amino]propyl]-5-fluoro-3-phenylquinazolin-4-one
CID 140814467
N'-[1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl]-4-(methylamino)-N-methylidene-1H-imidazole-5-carboximidamide
CID 138475737
N-[1-[5-fluoro-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)-N-propylacetamide
CID 23579300
5-fluoro-3-phenyl-2-[(1S)-1-(5H-pyrrolo[2,3-d]pyrimidin-4-ylamino)propyl]quinazolin-4-one
CID 147972305

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl] acetate?
The IUPAC name of [(1R)-1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl] acetate (CID 121455170) is [(1R)-1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl] acetate.
What is the SMILES notation for [(1R)-1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl] acetate?
The canonical SMILES for [(1R)-1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl] acetate is CC[C@@H](OC(C)=O)c1nc2cccc(F)c2c(=O)n1-c1ccccc1.
What is the InChIKey of [(1R)-1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl] acetate?
The InChIKey is PJXRVIMRABAIRQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-3-16(25-12(2)23)18-21-15-11-7-10-14(20)17(15)19(24)22(18)13-8-5-4-6-9-13/h4-11,16H,3H2,1-2H3/t16-/m1/s1.
What are the key properties of [(1R)-1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl] acetate?
[(1R)-1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl] acetate has a molecular weight of 340.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl] acetate is sourced from PubChem (CID 121455170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).