5-[7-fluoro-4-(morpholin-4-ylmethyl)quinolin-2-yl]-2-(2-oxopropyl)benzonitrile

C24H22FN3O2 — CID 160642239

IUPAC5-[7-fluoro-4-(morpholin-4-ylmethyl)quinolin-2-yl]-2-(2-oxopropyl)benzonitrile
SMILESCC(=O)Cc1ccc(-c2cc(CN3CCOCC3)c3ccc(F)cc3n2)cc1C#N
InChIInChI=1S/C24H22FN3O2/c1-16(29)10-17-2-3-18(11-19(17)14-26)23-12-20(15-28-6-8-30-9-7-28)22-5-4-21(25)13-24(22)27-23/h2-5,11-13H,6-10,15H2,1H3
InChIKeyRJIDMGHOGDTPAX-UHFFFAOYSA-N
MW403.46 g/mol
LogP3.88
Rot. Bonds5

About 5-[7-fluoro-4-(morpholin-4-ylmethyl)quinolin-2-yl]-2-(2-oxopropyl)benzonitrile

5-[7-fluoro-4-(morpholin-4-ylmethyl)quinolin-2-yl]-2-(2-oxopropyl)benzonitrile (PubChem CID 160642239) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is 5-[7-fluoro-4-(morpholin-4-ylmethyl)quinolin-2-yl]-2-(2-oxopropyl)benzonitrile.

Molecular Properties

Compound Name5-[7-fluoro-4-(morpholin-4-ylmethyl)quinolin-2-yl]-2-(2-oxopropyl)benzonitrile
PubChem CID160642239
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC Name5-[7-fluoro-4-(morpholin-4-ylmethyl)quinolin-2-yl]-2-(2-oxopropyl)benzonitrile
SMILESCC(=O)Cc1ccc(-c2cc(CN3CCOCC3)c3ccc(F)cc3n2)cc1C#N
InChIInChI=1S/C24H22FN3O2/c1-16(29)10-17-2-3-18(11-19(17)14-26)23-12-20(15-28-6-8-30-9-7-28)22-5-4-21(25)13-24(22)27-23/h2-5,11-13H,6-10,15H2,1H3
InChIKeyRJIDMGHOGDTPAX-UHFFFAOYSA-N
XLogP3.88
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[7-fluoro-4-(morpholin-4-ylmethyl)quinolin-2-yl]-2-(2-oxopropyl)benzonitrile?
The IUPAC name of 5-[7-fluoro-4-(morpholin-4-ylmethyl)quinolin-2-yl]-2-(2-oxopropyl)benzonitrile (CID 160642239) is 5-[7-fluoro-4-(morpholin-4-ylmethyl)quinolin-2-yl]-2-(2-oxopropyl)benzonitrile.
What is the SMILES notation for 5-[7-fluoro-4-(morpholin-4-ylmethyl)quinolin-2-yl]-2-(2-oxopropyl)benzonitrile?
The canonical SMILES for 5-[7-fluoro-4-(morpholin-4-ylmethyl)quinolin-2-yl]-2-(2-oxopropyl)benzonitrile is CC(=O)Cc1ccc(-c2cc(CN3CCOCC3)c3ccc(F)cc3n2)cc1C#N.
What is the InChIKey of 5-[7-fluoro-4-(morpholin-4-ylmethyl)quinolin-2-yl]-2-(2-oxopropyl)benzonitrile?
The InChIKey is RJIDMGHOGDTPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c1-16(29)10-17-2-3-18(11-19(17)14-26)23-12-20(15-28-6-8-30-9-7-28)22-5-4-21(25)13-24(22)27-23/h2-5,11-13H,6-10,15H2,1H3.
What are the key properties of 5-[7-fluoro-4-(morpholin-4-ylmethyl)quinolin-2-yl]-2-(2-oxopropyl)benzonitrile?
5-[7-fluoro-4-(morpholin-4-ylmethyl)quinolin-2-yl]-2-(2-oxopropyl)benzonitrile has a molecular weight of 403.46 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-fluoro-4-(morpholin-4-ylmethyl)quinolin-2-yl]-2-(2-oxopropyl)benzonitrile is sourced from PubChem (CID 160642239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).