2-[2-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-oxoquinazolin-3-yl]acetonitrile

C16H18N4O2 — CID 31502094

IUPAC2-[2-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-oxoquinazolin-3-yl]acetonitrile
SMILESC[C@H]1CN(Cc2nc3ccccc3c(=O)n2CC#N)CCO1
InChIInChI=1S/C16H18N4O2/c1-12-10-19(8-9-22-12)11-15-18-14-5-3-2-4-13(14)16(21)20(15)7-6-17/h2-5,12H,7-11H2,1H3/t12-/m0/s1
InChIKeyLCKQKCFOGWAUMQ-LBPRGKRZSA-N
MW298.35 g/mol
LogP1.14
Rot. Bonds3

About 2-[2-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-oxoquinazolin-3-yl]acetonitrile

2-[2-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-oxoquinazolin-3-yl]acetonitrile (PubChem CID 31502094) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-[2-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-oxoquinazolin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-oxoquinazolin-3-yl]acetonitrile
PubChem CID31502094
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-[2-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-oxoquinazolin-3-yl]acetonitrile
SMILESC[C@H]1CN(Cc2nc3ccccc3c(=O)n2CC#N)CCO1
InChIInChI=1S/C16H18N4O2/c1-12-10-19(8-9-22-12)11-15-18-14-5-3-2-4-13(14)16(21)20(15)7-6-17/h2-5,12H,7-11H2,1H3/t12-/m0/s1
InChIKeyLCKQKCFOGWAUMQ-LBPRGKRZSA-N
XLogP1.14
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-oxoquinazolin-3-yl]acetonitrile with MolForge

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Related Compounds

2-[2-[(3-methylpiperidin-1-yl)methyl]-4-oxoquinazolin-3-yl]acetonitrile
CID 17445386
2-[4-oxo-2-[[(6R)-2,2,6-trimethylmorpholin-4-yl]methyl]quinazolin-3-yl]acetonitrile
CID 95586162
3-methyl-2-[2-[(2R)-2-methylmorpholin-4-yl]ethylsulfanyl]quinazolin-4-one
CID 99825262
2-[2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxoquinazolin-3-yl]acetonitrile
CID 17415962
3-ethyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]quinazolin-4-one
CID 92589759
2-[(2-benzylmorpholin-4-yl)methyl]-3-methylquinazolin-4-one
CID 122135267
3-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one
CID 35899137
2-(morpholin-4-ylmethyl)-3-(2-oxopropyl)quinazolin-4-one
CID 2487613
3-ethyl-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one
CID 92589760
2-[2-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl]-4-oxoquinazolin-3-yl]acetonitrile
CID 40666097
2-(morpholin-4-ylmethyl)-3-[[(2S)-oxan-2-yl]methyl]quinazolin-4-one
CID 94178972
2-(morpholin-4-ylmethyl)-3-[[(2R)-oxan-2-yl]methyl]quinazolin-4-one
CID 94178973

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-oxoquinazolin-3-yl]acetonitrile?
The IUPAC name of 2-[2-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-oxoquinazolin-3-yl]acetonitrile (CID 31502094) is 2-[2-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-oxoquinazolin-3-yl]acetonitrile.
What is the SMILES notation for 2-[2-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-oxoquinazolin-3-yl]acetonitrile?
The canonical SMILES for 2-[2-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-oxoquinazolin-3-yl]acetonitrile is C[C@H]1CN(Cc2nc3ccccc3c(=O)n2CC#N)CCO1.
What is the InChIKey of 2-[2-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-oxoquinazolin-3-yl]acetonitrile?
The InChIKey is LCKQKCFOGWAUMQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-12-10-19(8-9-22-12)11-15-18-14-5-3-2-4-13(14)16(21)20(15)7-6-17/h2-5,12H,7-11H2,1H3/t12-/m0/s1.
What are the key properties of 2-[2-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-oxoquinazolin-3-yl]acetonitrile?
2-[2-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-oxoquinazolin-3-yl]acetonitrile has a molecular weight of 298.35 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-oxoquinazolin-3-yl]acetonitrile is sourced from PubChem (CID 31502094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).