2-(2-phenylmorpholin-4-yl)quinoline-3-carbonitrile

C20H17N3O — CID 52985652

IUPAC2-(2-phenylmorpholin-4-yl)quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1N1CCOC(c2ccccc2)C1
InChIInChI=1S/C20H17N3O/c21-13-17-12-16-8-4-5-9-18(16)22-20(17)23-10-11-24-19(14-23)15-6-2-1-3-7-15/h1-9,12,19H,10-11,14H2
InChIKeyCKEWMWGBANBGBA-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.68
Rot. Bonds2

About 2-(2-phenylmorpholin-4-yl)quinoline-3-carbonitrile

2-(2-phenylmorpholin-4-yl)quinoline-3-carbonitrile (PubChem CID 52985652) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-(2-phenylmorpholin-4-yl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(2-phenylmorpholin-4-yl)quinoline-3-carbonitrile
PubChem CID52985652
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name2-(2-phenylmorpholin-4-yl)quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1N1CCOC(c2ccccc2)C1
InChIInChI=1S/C20H17N3O/c21-13-17-12-16-8-4-5-9-18(16)22-20(17)23-10-11-24-19(14-23)15-6-2-1-3-7-15/h1-9,12,19H,10-11,14H2
InChIKeyCKEWMWGBANBGBA-UHFFFAOYSA-N
XLogP3.68
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylmorpholin-4-yl)quinoline-3-carbonitrile?
The IUPAC name of 2-(2-phenylmorpholin-4-yl)quinoline-3-carbonitrile (CID 52985652) is 2-(2-phenylmorpholin-4-yl)quinoline-3-carbonitrile.
What is the SMILES notation for 2-(2-phenylmorpholin-4-yl)quinoline-3-carbonitrile?
The canonical SMILES for 2-(2-phenylmorpholin-4-yl)quinoline-3-carbonitrile is N#Cc1cc2ccccc2nc1N1CCOC(c2ccccc2)C1.
What is the InChIKey of 2-(2-phenylmorpholin-4-yl)quinoline-3-carbonitrile?
The InChIKey is CKEWMWGBANBGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c21-13-17-12-16-8-4-5-9-18(16)22-20(17)23-10-11-24-19(14-23)15-6-2-1-3-7-15/h1-9,12,19H,10-11,14H2.
What are the key properties of 2-(2-phenylmorpholin-4-yl)quinoline-3-carbonitrile?
2-(2-phenylmorpholin-4-yl)quinoline-3-carbonitrile has a molecular weight of 315.38 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylmorpholin-4-yl)quinoline-3-carbonitrile is sourced from PubChem (CID 52985652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).