7-methyl-1-morpholin-4-yl-3-oxo-4H-naphthalene-2-carbonitrile

C16H16N2O2 — CID 163446076

IUPAC7-methyl-1-morpholin-4-yl-3-oxo-4H-naphthalene-2-carbonitrile
SMILESCc1ccc2c(c1)C(N1CCOCC1)=C(C#N)C(=O)C2
InChIInChI=1S/C16H16N2O2/c1-11-2-3-12-9-15(19)14(10-17)16(13(12)8-11)18-4-6-20-7-5-18/h2-3,8H,4-7,9H2,1H3
InChIKeyBCQIWXJAUFCUPH-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.69
Rot. Bonds1

About 7-methyl-1-morpholin-4-yl-3-oxo-4H-naphthalene-2-carbonitrile

7-methyl-1-morpholin-4-yl-3-oxo-4H-naphthalene-2-carbonitrile (PubChem CID 163446076) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 7-methyl-1-morpholin-4-yl-3-oxo-4H-naphthalene-2-carbonitrile.

Molecular Properties

Compound Name7-methyl-1-morpholin-4-yl-3-oxo-4H-naphthalene-2-carbonitrile
PubChem CID163446076
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name7-methyl-1-morpholin-4-yl-3-oxo-4H-naphthalene-2-carbonitrile
SMILESCc1ccc2c(c1)C(N1CCOCC1)=C(C#N)C(=O)C2
InChIInChI=1S/C16H16N2O2/c1-11-2-3-12-9-15(19)14(10-17)16(13(12)8-11)18-4-6-20-7-5-18/h2-3,8H,4-7,9H2,1H3
InChIKeyBCQIWXJAUFCUPH-UHFFFAOYSA-N
XLogP1.69
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-morpholin-4-yl-3-oxo-4H-naphthalene-2-carbonitrile?
The IUPAC name of 7-methyl-1-morpholin-4-yl-3-oxo-4H-naphthalene-2-carbonitrile (CID 163446076) is 7-methyl-1-morpholin-4-yl-3-oxo-4H-naphthalene-2-carbonitrile.
What is the SMILES notation for 7-methyl-1-morpholin-4-yl-3-oxo-4H-naphthalene-2-carbonitrile?
The canonical SMILES for 7-methyl-1-morpholin-4-yl-3-oxo-4H-naphthalene-2-carbonitrile is Cc1ccc2c(c1)C(N1CCOCC1)=C(C#N)C(=O)C2.
What is the InChIKey of 7-methyl-1-morpholin-4-yl-3-oxo-4H-naphthalene-2-carbonitrile?
The InChIKey is BCQIWXJAUFCUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11-2-3-12-9-15(19)14(10-17)16(13(12)8-11)18-4-6-20-7-5-18/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 7-methyl-1-morpholin-4-yl-3-oxo-4H-naphthalene-2-carbonitrile?
7-methyl-1-morpholin-4-yl-3-oxo-4H-naphthalene-2-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-morpholin-4-yl-3-oxo-4H-naphthalene-2-carbonitrile is sourced from PubChem (CID 163446076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).