2-[4-oxo-2-[[(6R)-2,2,6-trimethylmorpholin-4-yl]methyl]quinazolin-3-yl]acetonitrile

C18H22N4O2 — CID 95586162

IUPAC2-[4-oxo-2-[[(6R)-2,2,6-trimethylmorpholin-4-yl]methyl]quinazolin-3-yl]acetonitrile
SMILESC[C@@H]1CN(Cc2nc3ccccc3c(=O)n2CC#N)CC(C)(C)O1
InChIInChI=1S/C18H22N4O2/c1-13-10-21(12-18(2,3)24-13)11-16-20-15-7-5-4-6-14(15)17(23)22(16)9-8-19/h4-7,13H,9-12H2,1-3H3/t13-/m1/s1
InChIKeyLVHYXGVBOMGREY-CYBMUJFWSA-N
MW326.40 g/mol
LogP1.92
Rot. Bonds3

About 2-[4-oxo-2-[[(6R)-2,2,6-trimethylmorpholin-4-yl]methyl]quinazolin-3-yl]acetonitrile

2-[4-oxo-2-[[(6R)-2,2,6-trimethylmorpholin-4-yl]methyl]quinazolin-3-yl]acetonitrile (PubChem CID 95586162) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[4-oxo-2-[[(6R)-2,2,6-trimethylmorpholin-4-yl]methyl]quinazolin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-oxo-2-[[(6R)-2,2,6-trimethylmorpholin-4-yl]methyl]quinazolin-3-yl]acetonitrile
PubChem CID95586162
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-[4-oxo-2-[[(6R)-2,2,6-trimethylmorpholin-4-yl]methyl]quinazolin-3-yl]acetonitrile
SMILESC[C@@H]1CN(Cc2nc3ccccc3c(=O)n2CC#N)CC(C)(C)O1
InChIInChI=1S/C18H22N4O2/c1-13-10-21(12-18(2,3)24-13)11-16-20-15-7-5-4-6-14(15)17(23)22(16)9-8-19/h4-7,13H,9-12H2,1-3H3/t13-/m1/s1
InChIKeyLVHYXGVBOMGREY-CYBMUJFWSA-N
XLogP1.92
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-oxo-2-[[(6R)-2,2,6-trimethylmorpholin-4-yl]methyl]quinazolin-3-yl]acetonitrile with MolForge

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Related Compounds

2-[2-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-oxoquinazolin-3-yl]acetonitrile
CID 31502094
2-[2-[(3-methylpiperidin-1-yl)methyl]-4-oxoquinazolin-3-yl]acetonitrile
CID 17445386
2-[2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxoquinazolin-3-yl]acetonitrile
CID 17415962
[3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-methoxyacetate
CID 8018822
2-[2-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl]-4-oxoquinazolin-3-yl]acetonitrile
CID 40666097
[2-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1-benzofuran-3-yl]methanamine
CID 62434570
6-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyridin-2-amine
CID 79243466
3-ethyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]quinazolin-4-one
CID 92589759
[3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 5-methylpyrazine-2-carboxylate
CID 7950140
3-ethyl-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one
CID 92589760
[3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-hydroxy-3-methylbenzoate
CID 8815224
[3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate
CID 2551873

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-2-[[(6R)-2,2,6-trimethylmorpholin-4-yl]methyl]quinazolin-3-yl]acetonitrile?
The IUPAC name of 2-[4-oxo-2-[[(6R)-2,2,6-trimethylmorpholin-4-yl]methyl]quinazolin-3-yl]acetonitrile (CID 95586162) is 2-[4-oxo-2-[[(6R)-2,2,6-trimethylmorpholin-4-yl]methyl]quinazolin-3-yl]acetonitrile.
What is the SMILES notation for 2-[4-oxo-2-[[(6R)-2,2,6-trimethylmorpholin-4-yl]methyl]quinazolin-3-yl]acetonitrile?
The canonical SMILES for 2-[4-oxo-2-[[(6R)-2,2,6-trimethylmorpholin-4-yl]methyl]quinazolin-3-yl]acetonitrile is C[C@@H]1CN(Cc2nc3ccccc3c(=O)n2CC#N)CC(C)(C)O1.
What is the InChIKey of 2-[4-oxo-2-[[(6R)-2,2,6-trimethylmorpholin-4-yl]methyl]quinazolin-3-yl]acetonitrile?
The InChIKey is LVHYXGVBOMGREY-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-10-21(12-18(2,3)24-13)11-16-20-15-7-5-4-6-14(15)17(23)22(16)9-8-19/h4-7,13H,9-12H2,1-3H3/t13-/m1/s1.
What are the key properties of 2-[4-oxo-2-[[(6R)-2,2,6-trimethylmorpholin-4-yl]methyl]quinazolin-3-yl]acetonitrile?
2-[4-oxo-2-[[(6R)-2,2,6-trimethylmorpholin-4-yl]methyl]quinazolin-3-yl]acetonitrile has a molecular weight of 326.40 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-2-[[(6R)-2,2,6-trimethylmorpholin-4-yl]methyl]quinazolin-3-yl]acetonitrile is sourced from PubChem (CID 95586162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).