2-(1-aminopropyl)-3-(3,5-difluorophenyl)-5-methylquinazolin-4-one

C18H17F2N3O — CID 90232497

IUPAC2-(1-aminopropyl)-3-(3,5-difluorophenyl)-5-methylquinazolin-4-one
SMILESCCC(N)c1nc2cccc(C)c2c(=O)n1-c1cc(F)cc(F)c1
InChIInChI=1S/C18H17F2N3O/c1-3-14(21)17-22-15-6-4-5-10(2)16(15)18(24)23(17)13-8-11(19)7-12(20)9-13/h4-9,14H,3,21H2,1-2H3
InChIKeyJLZNJGOGYPXDQS-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.38
Rot. Bonds3

About 2-(1-aminopropyl)-3-(3,5-difluorophenyl)-5-methylquinazolin-4-one

2-(1-aminopropyl)-3-(3,5-difluorophenyl)-5-methylquinazolin-4-one (PubChem CID 90232497) has the molecular formula C18H17F2N3O and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-(1-aminopropyl)-3-(3,5-difluorophenyl)-5-methylquinazolin-4-one.

Molecular Properties

Compound Name2-(1-aminopropyl)-3-(3,5-difluorophenyl)-5-methylquinazolin-4-one
PubChem CID90232497
Molecular FormulaC18H17F2N3O
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name2-(1-aminopropyl)-3-(3,5-difluorophenyl)-5-methylquinazolin-4-one
SMILESCCC(N)c1nc2cccc(C)c2c(=O)n1-c1cc(F)cc(F)c1
InChIInChI=1S/C18H17F2N3O/c1-3-14(21)17-22-15-6-4-5-10(2)16(15)18(24)23(17)13-8-11(19)7-12(20)9-13/h4-9,14H,3,21H2,1-2H3
InChIKeyJLZNJGOGYPXDQS-UHFFFAOYSA-N
XLogP3.38
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropyl)-3-(3,5-difluorophenyl)-5-methylquinazolin-4-one?
The IUPAC name of 2-(1-aminopropyl)-3-(3,5-difluorophenyl)-5-methylquinazolin-4-one (CID 90232497) is 2-(1-aminopropyl)-3-(3,5-difluorophenyl)-5-methylquinazolin-4-one.
What is the SMILES notation for 2-(1-aminopropyl)-3-(3,5-difluorophenyl)-5-methylquinazolin-4-one?
The canonical SMILES for 2-(1-aminopropyl)-3-(3,5-difluorophenyl)-5-methylquinazolin-4-one is CCC(N)c1nc2cccc(C)c2c(=O)n1-c1cc(F)cc(F)c1.
What is the InChIKey of 2-(1-aminopropyl)-3-(3,5-difluorophenyl)-5-methylquinazolin-4-one?
The InChIKey is JLZNJGOGYPXDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O/c1-3-14(21)17-22-15-6-4-5-10(2)16(15)18(24)23(17)13-8-11(19)7-12(20)9-13/h4-9,14H,3,21H2,1-2H3.
What are the key properties of 2-(1-aminopropyl)-3-(3,5-difluorophenyl)-5-methylquinazolin-4-one?
2-(1-aminopropyl)-3-(3,5-difluorophenyl)-5-methylquinazolin-4-one has a molecular weight of 329.35 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropyl)-3-(3,5-difluorophenyl)-5-methylquinazolin-4-one is sourced from PubChem (CID 90232497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).