2-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]-3H-quinazolin-4-one

C21H21N3O3 — CID 135922620

IUPAC2-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]-3H-quinazolin-4-one
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C21H21N3O3/c25-20(24-12-13-27-18(14-24)15-6-2-1-3-7-15)11-10-19-22-17-9-5-4-8-16(17)21(26)23-19/h1-9,18H,10-14H2,(H,22,23,26)/t18-/m1/s1
InChIKeyKZDIATDGTNFWBV-GOSISDBHSA-N
MW363.42 g/mol
LogP2.46
Rot. Bonds4

About 2-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]-3H-quinazolin-4-one

2-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]-3H-quinazolin-4-one (PubChem CID 135922620) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]-3H-quinazolin-4-one
PubChem CID135922620
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]-3H-quinazolin-4-one
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C21H21N3O3/c25-20(24-12-13-27-18(14-24)15-6-2-1-3-7-15)11-10-19-22-17-9-5-4-8-16(17)21(26)23-19/h1-9,18H,10-14H2,(H,22,23,26)/t18-/m1/s1
InChIKeyKZDIATDGTNFWBV-GOSISDBHSA-N
XLogP2.46
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[2-(4-bromophenyl)morpholin-4-yl]-3-oxopropyl]-3H-quinazolin-4-one
CID 135994857
4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]morpholine-2-carbonitrile
CID 154859618
2-[4-[(2S)-2-methylmorpholin-4-yl]-4-oxobutyl]-3H-quinazolin-4-one
CID 135933709
2,4-dimethyl-5-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]-1H-pyrimidin-6-one
CID 136882935
3-(1,3-benzothiazol-2-yl)-1-[(2R)-2-phenylmorpholin-4-yl]propan-1-one
CID 35258822
2-[3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]-3H-quinazolin-4-one
CID 135587910
2-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one
CID 137303622
3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810
2-[3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one
CID 135622289
10-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]acridin-9-one
CID 25348640
2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3H-quinazolin-4-one
CID 135659956
2-naphthalen-1-yl-1-(2-phenylmorpholin-4-yl)ethanone
CID 16894712

Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]-3H-quinazolin-4-one (CID 135922620) is 2-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]-3H-quinazolin-4-one is O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCO[C@@H](c2ccccc2)C1.
What is the InChIKey of 2-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]-3H-quinazolin-4-one?
The InChIKey is KZDIATDGTNFWBV-GOSISDBHSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-20(24-12-13-27-18(14-24)15-6-2-1-3-7-15)11-10-19-22-17-9-5-4-8-16(17)21(26)23-19/h1-9,18H,10-14H2,(H,22,23,26)/t18-/m1/s1.
What are the key properties of 2-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]-3H-quinazolin-4-one?
2-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]-3H-quinazolin-4-one has a molecular weight of 363.42 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135922620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).