2-(3-aminopropyl)-5-fluoro-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one

C18H15F4N3O — CID 90236609

IUPAC2-(3-aminopropyl)-5-fluoro-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
SMILESNCCCc1nc2cccc(F)c2c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H15F4N3O/c19-13-6-2-7-14-16(13)17(26)25(15(24-14)8-3-9-23)12-5-1-4-11(10-12)18(20,21)22/h1-2,4-7,10H,3,8-9,23H2
InChIKeyOJHGPROORSCZLC-UHFFFAOYSA-N
MW365.33 g/mol
LogP3.43
Rot. Bonds4

About 2-(3-aminopropyl)-5-fluoro-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one

2-(3-aminopropyl)-5-fluoro-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one (PubChem CID 90236609) has the molecular formula C18H15F4N3O and a molecular weight of 365.33 g/mol. Its IUPAC name is 2-(3-aminopropyl)-5-fluoro-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name2-(3-aminopropyl)-5-fluoro-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
PubChem CID90236609
Molecular FormulaC18H15F4N3O
Molecular Weight365.33 g/mol
Exact Mass365.12
IUPAC Name2-(3-aminopropyl)-5-fluoro-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
SMILESNCCCc1nc2cccc(F)c2c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H15F4N3O/c19-13-6-2-7-14-16(13)17(26)25(15(24-14)8-3-9-23)12-5-1-4-11(10-12)18(20,21)22/h1-2,4-7,10H,3,8-9,23H2
InChIKeyOJHGPROORSCZLC-UHFFFAOYSA-N
XLogP3.43
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminopropyl)-3-(3,5-difluorophenyl)-5,6-difluoroquinazolin-4-one
CID 90237050
2,4-diamino-6-[2-[3-[3,5-bis(trifluoromethyl)phenyl]-5-fluoro-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 90236875
tert-butyl N-ethyl-N-[5-fluoro-4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]carbamate
CID 90236940
3-(3-chloro-4-methylphenyl)-5-fluoro-2-propylquinazolin-4-one
CID 144835112
tert-butyl N-[4-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)butyl]carbamate
CID 137476613
3-(2,6-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one
CID 144835217
2-[3-[(2,6-diamino-5-chloropyrimidin-4-yl)amino]propyl]-3-(3,5-difluorophenyl)-5-fluoroquinazolin-4-one
CID 90237391
2-[(4-oxo-3H-quinazolin-2-yl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 135533146
carbon dioxide;7-methyl-2-(5-oxodecyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 157394225
2-propyl-3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine
CID 117165971
2-[3-(6-amino-7H-purin-1-ium-1-yl)propyl]-5-fluoro-3-phenylquinazolin-4-one
CID 123942939
3-[5-chloro-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]propan-1-amine
CID 115068409

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-5-fluoro-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one?
The IUPAC name of 2-(3-aminopropyl)-5-fluoro-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one (CID 90236609) is 2-(3-aminopropyl)-5-fluoro-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one.
What is the SMILES notation for 2-(3-aminopropyl)-5-fluoro-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one?
The canonical SMILES for 2-(3-aminopropyl)-5-fluoro-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one is NCCCc1nc2cccc(F)c2c(=O)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(3-aminopropyl)-5-fluoro-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one?
The InChIKey is OJHGPROORSCZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4N3O/c19-13-6-2-7-14-16(13)17(26)25(15(24-14)8-3-9-23)12-5-1-4-11(10-12)18(20,21)22/h1-2,4-7,10H,3,8-9,23H2.
What are the key properties of 2-(3-aminopropyl)-5-fluoro-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one?
2-(3-aminopropyl)-5-fluoro-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one has a molecular weight of 365.33 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-5-fluoro-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one is sourced from PubChem (CID 90236609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).