8-[(1R)-1-aminoethyl]-3-cyclopropyl-6-fluoro-2-[(2S)-oxolan-2-yl]quinazolin-4-one

C17H20FN3O2 — CID 170753291

IUPAC8-[(1R)-1-aminoethyl]-3-cyclopropyl-6-fluoro-2-[(2S)-oxolan-2-yl]quinazolin-4-one
SMILESC[C@@H](N)c1cc(F)cc2c(=O)n(C3CC3)c([C@@H]3CCCO3)nc12
InChIInChI=1S/C17H20FN3O2/c1-9(19)12-7-10(18)8-13-15(12)20-16(14-3-2-6-23-14)21(17(13)22)11-4-5-11/h7-9,11,14H,2-6,19H2,1H3/t9-,14+/m1/s1
InChIKeyXJZIXGHFKVUCCF-OTYXRUKQSA-N
MW317.36 g/mol
LogP2.74
Rot. Bonds3

About 8-[(1R)-1-aminoethyl]-3-cyclopropyl-6-fluoro-2-[(2S)-oxolan-2-yl]quinazolin-4-one

8-[(1R)-1-aminoethyl]-3-cyclopropyl-6-fluoro-2-[(2S)-oxolan-2-yl]quinazolin-4-one (PubChem CID 170753291) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 8-[(1R)-1-aminoethyl]-3-cyclopropyl-6-fluoro-2-[(2S)-oxolan-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name8-[(1R)-1-aminoethyl]-3-cyclopropyl-6-fluoro-2-[(2S)-oxolan-2-yl]quinazolin-4-one
PubChem CID170753291
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name8-[(1R)-1-aminoethyl]-3-cyclopropyl-6-fluoro-2-[(2S)-oxolan-2-yl]quinazolin-4-one
SMILESC[C@@H](N)c1cc(F)cc2c(=O)n(C3CC3)c([C@@H]3CCCO3)nc12
InChIInChI=1S/C17H20FN3O2/c1-9(19)12-7-10(18)8-13-15(12)20-16(14-3-2-6-23-14)21(17(13)22)11-4-5-11/h7-9,11,14H,2-6,19H2,1H3/t9-,14+/m1/s1
InChIKeyXJZIXGHFKVUCCF-OTYXRUKQSA-N
XLogP2.74
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[(1R)-1-aminoethyl]-3-cyclopropyl-6-fluoro-2-[(2S)-oxolan-2-yl]quinazolin-4-one with MolForge

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Related Compounds

2-methyl-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4(3H)-one
CID 3532242
(E)-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 135600585
(E)-3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]prop-2-enamide
CID 135928728
7-(3-Fluorophenyl)-3-methyl-2-(oxolan-2-yl)quinazolin-4-one
CID 69937962
[(1S)-1-(3-cyclopropyl-5-fluoro-4-oxoquinazolin-2-yl)propyl] N-tert-butylcarbamate
CID 142732143
6-[4-(2,5-dimethyl-4,5-dihydro-1,3-oxazol-4-yl)-4-fluorobutan-2-yl]-8-fluoro-2-piperidin-4-yl-3H-quinazolin-4-one
CID 156329698
8-[(1R)-1-aminoethyl]-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one
CID 169154717
8-(1-Aminoethyl)-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one
CID 169763873
(R)-N-[(1R)-1-[3-cyclopropyl-6-fluoro-4-oxo-2-[(2R)-oxolan-2-yl]quinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 170753096
(R)-N-[(1R)-1-[6-fluoro-3-methyl-2-(oxan-4-yl)-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 170753107
(R)-N-[(1R)-1-[3-cyclopropyl-6-fluoro-2-(oxan-3-yl)-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 170753178
(R)-N-[1-[3-cyclopropyl-6-fluoro-4-oxo-2-[(2R)-oxolan-2-yl]quinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide
CID 170753185

Frequently Asked Questions

What is the IUPAC name of 8-[(1R)-1-aminoethyl]-3-cyclopropyl-6-fluoro-2-[(2S)-oxolan-2-yl]quinazolin-4-one?
The IUPAC name of 8-[(1R)-1-aminoethyl]-3-cyclopropyl-6-fluoro-2-[(2S)-oxolan-2-yl]quinazolin-4-one (CID 170753291) is 8-[(1R)-1-aminoethyl]-3-cyclopropyl-6-fluoro-2-[(2S)-oxolan-2-yl]quinazolin-4-one.
What is the SMILES notation for 8-[(1R)-1-aminoethyl]-3-cyclopropyl-6-fluoro-2-[(2S)-oxolan-2-yl]quinazolin-4-one?
The canonical SMILES for 8-[(1R)-1-aminoethyl]-3-cyclopropyl-6-fluoro-2-[(2S)-oxolan-2-yl]quinazolin-4-one is C[C@@H](N)c1cc(F)cc2c(=O)n(C3CC3)c([C@@H]3CCCO3)nc12.
What is the InChIKey of 8-[(1R)-1-aminoethyl]-3-cyclopropyl-6-fluoro-2-[(2S)-oxolan-2-yl]quinazolin-4-one?
The InChIKey is XJZIXGHFKVUCCF-OTYXRUKQSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-9(19)12-7-10(18)8-13-15(12)20-16(14-3-2-6-23-14)21(17(13)22)11-4-5-11/h7-9,11,14H,2-6,19H2,1H3/t9-,14+/m1/s1.
What are the key properties of 8-[(1R)-1-aminoethyl]-3-cyclopropyl-6-fluoro-2-[(2S)-oxolan-2-yl]quinazolin-4-one?
8-[(1R)-1-aminoethyl]-3-cyclopropyl-6-fluoro-2-[(2S)-oxolan-2-yl]quinazolin-4-one has a molecular weight of 317.36 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1R)-1-aminoethyl]-3-cyclopropyl-6-fluoro-2-[(2S)-oxolan-2-yl]quinazolin-4-one is sourced from PubChem (CID 170753291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).