8-[(1R)-1-aminoethyl]-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one

C15H18FN3O — CID 169154717

IUPAC8-[(1R)-1-aminoethyl]-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one
SMILESCc1cc([C@@H](C)N)c2nc(C3(F)CC3)n(C)c(=O)c2c1
InChIInChI=1S/C15H18FN3O/c1-8-6-10(9(2)17)12-11(7-8)13(20)19(3)14(18-12)15(16)4-5-15/h6-7,9H,4-5,17H2,1-3H3/t9-/m1/s1
InChIKeyFCFPUMAXGUQZIE-SECBINFHSA-N
MW275.33 g/mol
LogP2.22
Rot. Bonds2

About 8-[(1R)-1-aminoethyl]-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one

8-[(1R)-1-aminoethyl]-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one (PubChem CID 169154717) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 8-[(1R)-1-aminoethyl]-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one.

Molecular Properties

Compound Name8-[(1R)-1-aminoethyl]-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one
PubChem CID169154717
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name8-[(1R)-1-aminoethyl]-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one
SMILESCc1cc([C@@H](C)N)c2nc(C3(F)CC3)n(C)c(=O)c2c1
InChIInChI=1S/C15H18FN3O/c1-8-6-10(9(2)17)12-11(7-8)13(20)19(3)14(18-12)15(16)4-5-15/h6-7,9H,4-5,17H2,1-3H3/t9-/m1/s1
InChIKeyFCFPUMAXGUQZIE-SECBINFHSA-N
XLogP2.22
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(1R)-1-aminoethyl]-3,6-dimethyl-2-(1-methylcyclobutyl)quinazolin-4-one
CID 169155366
8-bromo-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one
CID 169155207
8-[(1R)-1-aminoethyl]-2-ethyl-3,6-dimethylquinazolin-4-one
CID 169155141
6-chloro-3-[[(1R)-1-[2-(1-fluorocyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid
CID 169155014
8-(1-aminoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
CID 170754048
(3R)-5-[(1R)-1-aminoethyl]-7-methylspiro[1,2-dihydropyrrolo[2,1-b]quinazoline-3,3'-oxolane]-9-one
CID 171839328
8-(1-aminoethyl)-3,6-dimethyl-2-(2-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-4-one
CID 170753566
8-acetyl-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3,6-dimethylquinazolin-4-one
CID 176864465
2-cyclohexyl-8-(1-hydroxyethyl)-3,6-dimethylquinazolin-4-one
CID 169155288
8-acetyl-3,6-dimethyl-2-(1-methylcyclopentyl)quinazolin-4-one
CID 169154754
2-(1-bicyclo[1.1.1]pentanyl)-8-bromo-3,6-dimethylquinazolin-4-one
CID 169154876
(R)-N-[(1R)-1-[2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 169154855

Frequently Asked Questions

What is the IUPAC name of 8-[(1R)-1-aminoethyl]-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one?
The IUPAC name of 8-[(1R)-1-aminoethyl]-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one (CID 169154717) is 8-[(1R)-1-aminoethyl]-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one.
What is the SMILES notation for 8-[(1R)-1-aminoethyl]-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one?
The canonical SMILES for 8-[(1R)-1-aminoethyl]-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one is Cc1cc([C@@H](C)N)c2nc(C3(F)CC3)n(C)c(=O)c2c1.
What is the InChIKey of 8-[(1R)-1-aminoethyl]-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one?
The InChIKey is FCFPUMAXGUQZIE-SECBINFHSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-8-6-10(9(2)17)12-11(7-8)13(20)19(3)14(18-12)15(16)4-5-15/h6-7,9H,4-5,17H2,1-3H3/t9-/m1/s1.
What are the key properties of 8-[(1R)-1-aminoethyl]-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one?
8-[(1R)-1-aminoethyl]-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one has a molecular weight of 275.33 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1R)-1-aminoethyl]-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one is sourced from PubChem (CID 169154717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).