6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one

C13H14FN3O2 — CID 164995242

IUPAC6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one
SMILESCc1cc(F)cc2c(=O)[nH]c(N3CCOCC3)nc12
InChIInChI=1S/C13H14FN3O2/c1-8-6-9(14)7-10-11(8)15-13(16-12(10)18)17-2-4-19-5-3-17/h6-7H,2-5H2,1H3,(H,15,16,18)
InChIKeyHLQBPYNZBCHRRZ-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.21
Rot. Bonds1

About 6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one

6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one (PubChem CID 164995242) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one
PubChem CID164995242
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one
SMILESCc1cc(F)cc2c(=O)[nH]c(N3CCOCC3)nc12
InChIInChI=1S/C13H14FN3O2/c1-8-6-9(14)7-10-11(8)15-13(16-12(10)18)17-2-4-19-5-3-17/h6-7H,2-5H2,1H3,(H,15,16,18)
InChIKeyHLQBPYNZBCHRRZ-UHFFFAOYSA-N
XLogP1.21
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4(1H)-Quinazolinone, 2-(4-methyl-1-piperazinyl)-
CID 135399236
4(3H)-Quinazolinone, 2-morpholino-
CID 135413123
AR-434/41599876
CID 135399149
4(3H)-Quinazolinone, 2-piperidino-
CID 135456253
4(3H)-Quinazolinone, 3-(morpholinomethyl)-, hydrochloride
CID 63821
4-Morpholineacetamide, N-(3,4-dihydro-4-oxo-3-quinazolinylmethyl)-, trihydrochloride
CID 3053768
2H-Pyrimido(2,1-b)quinazoline-1(6H)-carboxylic acid, 3,4-dihydro-6-oxo-, ethyl ester
CID 3074686
2H-Pyrimido(2,1-b)quinazoline-1(6H)-acetic acid, 3,4-dihydro-6-oxo-, ethyl ester
CID 3074687
8-fluoro-3-(2-morpholin-4-ylethyl)quinazolin-4(3H)-one
CID 45932301
3,6-Dimethyl-2-(2-morpholin-4-ylethylamino)quinazolin-4-one
CID 47044415
2-(4-ethylpiperazin-1-yl)-3H-quinazolin-4-one
CID 136013929
2-[methyl(3,3,3-trifluoropropyl)amino]-3H-quinazolin-4-one
CID 136663389

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one?
The IUPAC name of 6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one (CID 164995242) is 6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one.
What is the SMILES notation for 6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one?
The canonical SMILES for 6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one is Cc1cc(F)cc2c(=O)[nH]c(N3CCOCC3)nc12.
What is the InChIKey of 6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one?
The InChIKey is HLQBPYNZBCHRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-8-6-9(14)7-10-11(8)15-13(16-12(10)18)17-2-4-19-5-3-17/h6-7H,2-5H2,1H3,(H,15,16,18).
What are the key properties of 6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one?
6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one has a molecular weight of 263.27 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one is sourced from PubChem (CID 164995242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).