3-[3-oxo-3-[(3R)-3-propylmorpholin-4-yl]propyl]quinazolin-4-one

C18H23N3O3 — CID 95209616

IUPAC3-[3-oxo-3-[(3R)-3-propylmorpholin-4-yl]propyl]quinazolin-4-one
SMILESCCC[C@@H]1COCCN1C(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C18H23N3O3/c1-2-5-14-12-24-11-10-21(14)17(22)8-9-20-13-19-16-7-4-3-6-15(16)18(20)23/h3-4,6-7,13-14H,2,5,8-12H2,1H3/t14-/m1/s1
InChIKeyUFZTVFINPPLLCA-CQSZACIVSA-N
MW329.40 g/mol
LogP1.81
Rot. Bonds5

About 3-[3-oxo-3-[(3R)-3-propylmorpholin-4-yl]propyl]quinazolin-4-one

3-[3-oxo-3-[(3R)-3-propylmorpholin-4-yl]propyl]quinazolin-4-one (PubChem CID 95209616) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[3-oxo-3-[(3R)-3-propylmorpholin-4-yl]propyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[3-oxo-3-[(3R)-3-propylmorpholin-4-yl]propyl]quinazolin-4-one
PubChem CID95209616
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-[3-oxo-3-[(3R)-3-propylmorpholin-4-yl]propyl]quinazolin-4-one
SMILESCCC[C@@H]1COCCN1C(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C18H23N3O3/c1-2-5-14-12-24-11-10-21(14)17(22)8-9-20-13-19-16-7-4-3-6-15(16)18(20)23/h3-4,6-7,13-14H,2,5,8-12H2,1H3/t14-/m1/s1
InChIKeyUFZTVFINPPLLCA-CQSZACIVSA-N
XLogP1.81
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[3-(2-hydroxyethyl)morpholin-4-yl]-3-oxopropyl]-8-methylquinazolin-4-one
CID 136518869
3-[3-[(2S)-2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 124698567
3-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 95577677
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
3-[3-oxo-3-(2-phenylpyrrolidin-1-yl)propyl]quinazolin-4-one
CID 51319060
3-[3-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 128984837
3-[3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 128983150
4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholine-2-carboxylic acid
CID 119239315
3-[3-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 124692808
3-propylquinazolin-4-one
CID 529124
3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride
CID 119402237
3-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]quinazolin-4-one
CID 51280886

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-3-[(3R)-3-propylmorpholin-4-yl]propyl]quinazolin-4-one?
The IUPAC name of 3-[3-oxo-3-[(3R)-3-propylmorpholin-4-yl]propyl]quinazolin-4-one (CID 95209616) is 3-[3-oxo-3-[(3R)-3-propylmorpholin-4-yl]propyl]quinazolin-4-one.
What is the SMILES notation for 3-[3-oxo-3-[(3R)-3-propylmorpholin-4-yl]propyl]quinazolin-4-one?
The canonical SMILES for 3-[3-oxo-3-[(3R)-3-propylmorpholin-4-yl]propyl]quinazolin-4-one is CCC[C@@H]1COCCN1C(=O)CCn1cnc2ccccc2c1=O.
What is the InChIKey of 3-[3-oxo-3-[(3R)-3-propylmorpholin-4-yl]propyl]quinazolin-4-one?
The InChIKey is UFZTVFINPPLLCA-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-2-5-14-12-24-11-10-21(14)17(22)8-9-20-13-19-16-7-4-3-6-15(16)18(20)23/h3-4,6-7,13-14H,2,5,8-12H2,1H3/t14-/m1/s1.
What are the key properties of 3-[3-oxo-3-[(3R)-3-propylmorpholin-4-yl]propyl]quinazolin-4-one?
3-[3-oxo-3-[(3R)-3-propylmorpholin-4-yl]propyl]quinazolin-4-one has a molecular weight of 329.40 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-[(3R)-3-propylmorpholin-4-yl]propyl]quinazolin-4-one is sourced from PubChem (CID 95209616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).