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

C16H17N3O — CID 43669146

IUPAC4-(2-ethylmorpholin-4-yl)quinoline-3-carbonitrile
SMILESCCC1CN(c2c(C#N)cnc3ccccc23)CCO1
InChIInChI=1S/C16H17N3O/c1-2-13-11-19(7-8-20-13)16-12(9-17)10-18-15-6-4-3-5-14(15)16/h3-6,10,13H,2,7-8,11H2,1H3
InChIKeyMAJWDLDVIWTCNP-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.72
Rot. Bonds2

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

4-(2-ethylmorpholin-4-yl)quinoline-3-carbonitrile (PubChem CID 43669146) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(2-ethylmorpholin-4-yl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(2-ethylmorpholin-4-yl)quinoline-3-carbonitrile
PubChem CID43669146
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name4-(2-ethylmorpholin-4-yl)quinoline-3-carbonitrile
SMILESCCC1CN(c2c(C#N)cnc3ccccc23)CCO1
InChIInChI=1S/C16H17N3O/c1-2-13-11-19(7-8-20-13)16-12(9-17)10-18-15-6-4-3-5-14(15)16/h3-6,10,13H,2,7-8,11H2,1H3
InChIKeyMAJWDLDVIWTCNP-UHFFFAOYSA-N
XLogP2.72
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-cyanoquinolin-4-yl)morpholine-2-carbonitrile
CID 79033910
4-(3-propylpyrrolidin-1-yl)quinoline-3-carbonitrile
CID 115667709
4-(3-methylpiperazin-1-yl)quinoline-3-carbonitrile
CID 55076424
4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]quinoline-3-carbonitrile
CID 133449937
2-(2-ethylmorpholin-4-yl)-3-methylbenzonitrile
CID 107106497
2-(2-ethylmorpholin-4-yl)benzonitrile
CID 43429873
4-(4-ethoxypiperidin-1-yl)quinoline-3-carbonitrile
CID 61217907
4-[3-(methylaminomethyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 61205193
4-[(3S)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile
CID 107225382
4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)quinoline-3-carbonitrile
CID 133323058
4-(4,4-dimethylazepan-1-yl)quinoline-3-carbonitrile
CID 65281204
4-(4-propyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile
CID 133342726

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylmorpholin-4-yl)quinoline-3-carbonitrile?
The IUPAC name of 4-(2-ethylmorpholin-4-yl)quinoline-3-carbonitrile (CID 43669146) is 4-(2-ethylmorpholin-4-yl)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(2-ethylmorpholin-4-yl)quinoline-3-carbonitrile?
The canonical SMILES for 4-(2-ethylmorpholin-4-yl)quinoline-3-carbonitrile is CCC1CN(c2c(C#N)cnc3ccccc23)CCO1.
What is the InChIKey of 4-(2-ethylmorpholin-4-yl)quinoline-3-carbonitrile?
The InChIKey is MAJWDLDVIWTCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-2-13-11-19(7-8-20-13)16-12(9-17)10-18-15-6-4-3-5-14(15)16/h3-6,10,13H,2,7-8,11H2,1H3.
What are the key properties of 4-(2-ethylmorpholin-4-yl)quinoline-3-carbonitrile?
4-(2-ethylmorpholin-4-yl)quinoline-3-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylmorpholin-4-yl)quinoline-3-carbonitrile is sourced from PubChem (CID 43669146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).