4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]morpholine-2-carbonitrile

C16H16N4O3 — CID 154859618

IUPAC4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)CCO1
InChIInChI=1S/C16H16N4O3/c17-9-11-10-20(7-8-23-11)15(21)6-5-14-18-13-4-2-1-3-12(13)16(22)19-14/h1-4,11H,5-8,10H2,(H,18,19,22)
InChIKeyKGXLNIYOKUSQNG-UHFFFAOYSA-N
MW312.33 g/mol
LogP0.61
Rot. Bonds3

About 4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]morpholine-2-carbonitrile

4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]morpholine-2-carbonitrile (PubChem CID 154859618) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]morpholine-2-carbonitrile
PubChem CID154859618
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)CCO1
InChIInChI=1S/C16H16N4O3/c17-9-11-10-20(7-8-23-11)15(21)6-5-14-18-13-4-2-1-3-12(13)16(22)19-14/h1-4,11H,5-8,10H2,(H,18,19,22)
InChIKeyKGXLNIYOKUSQNG-UHFFFAOYSA-N
XLogP0.61
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]-3H-quinazolin-4-one
CID 135922620
2-[3-[2-(4-bromophenyl)morpholin-4-yl]-3-oxopropyl]-3H-quinazolin-4-one
CID 135994857
2-[4-[(2S)-2-methylmorpholin-4-yl]-4-oxobutyl]-3H-quinazolin-4-one
CID 135933709
4-[3-(1H-indol-3-yl)propanoyl]morpholine-2-carbonitrile
CID 78945471
2-[3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]-3H-quinazolin-4-one
CID 135587910
4-[4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperazin-1-yl]benzonitrile
CID 178142640
6-[(2S)-2-methyl-4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 137289702
4-(2-naphthalen-1-ylacetyl)morpholine-2-carbonitrile
CID 78945470
2-[3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one
CID 135622289
4-(2-chloroquinoline-4-carbonyl)morpholine-2-carbonitrile
CID 78945462
2-[4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-oxobutyl]-3H-quinazolin-4-one;hydrochloride
CID 137078552
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831927

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]morpholine-2-carbonitrile (CID 154859618) is 4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]morpholine-2-carbonitrile is N#CC1CN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)CCO1.
What is the InChIKey of 4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]morpholine-2-carbonitrile?
The InChIKey is KGXLNIYOKUSQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c17-9-11-10-20(7-8-23-11)15(21)6-5-14-18-13-4-2-1-3-12(13)16(22)19-14/h1-4,11H,5-8,10H2,(H,18,19,22).
What are the key properties of 4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]morpholine-2-carbonitrile?
4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]morpholine-2-carbonitrile has a molecular weight of 312.33 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]morpholine-2-carbonitrile is sourced from PubChem (CID 154859618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).