4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzonitrile

C21H18ClN3O — CID 171492279

IUPAC4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(CN3CCOCC3)c3ccc(Cl)cc3n2)cc1
InChIInChI=1S/C21H18ClN3O/c22-18-5-6-19-17(14-25-7-9-26-10-8-25)11-20(24-21(19)12-18)16-3-1-15(13-23)2-4-16/h1-6,11-12H,7-10,14H2
InChIKeyLIFWTSROEFBSHD-UHFFFAOYSA-N
MW363.85 g/mol
LogP4.26
Rot. Bonds3

About 4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzonitrile

4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzonitrile (PubChem CID 171492279) has the molecular formula C21H18ClN3O and a molecular weight of 363.85 g/mol. Its IUPAC name is 4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzonitrile
PubChem CID171492279
Molecular FormulaC21H18ClN3O
Molecular Weight363.85 g/mol
Exact Mass363.11
IUPAC Name4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(CN3CCOCC3)c3ccc(Cl)cc3n2)cc1
InChIInChI=1S/C21H18ClN3O/c22-18-5-6-19-17(14-25-7-9-26-10-8-25)11-20(24-21(19)12-18)16-3-1-15(13-23)2-4-16/h1-6,11-12H,7-10,14H2
InChIKeyLIFWTSROEFBSHD-UHFFFAOYSA-N
XLogP4.26
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzonitrile?
The IUPAC name of 4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzonitrile (CID 171492279) is 4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzonitrile.
What is the SMILES notation for 4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzonitrile?
The canonical SMILES for 4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzonitrile is N#Cc1ccc(-c2cc(CN3CCOCC3)c3ccc(Cl)cc3n2)cc1.
What is the InChIKey of 4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzonitrile?
The InChIKey is LIFWTSROEFBSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O/c22-18-5-6-19-17(14-25-7-9-26-10-8-25)11-20(24-21(19)12-18)16-3-1-15(13-23)2-4-16/h1-6,11-12H,7-10,14H2.
What are the key properties of 4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzonitrile?
4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzonitrile has a molecular weight of 363.85 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzonitrile is sourced from PubChem (CID 171492279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).