6-fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile

C20H21FN4O2 — CID 53002537

IUPAC6-fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C20H21FN4O2/c21-16-1-2-18-17(11-16)19(15(12-22)13-23-18)24-5-3-14(4-6-24)20(26)25-7-9-27-10-8-25/h1-2,11,13-14H,3-10H2
InChIKeyBKZZULBYXNAOKW-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.32
Rot. Bonds2

About 6-fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile

6-fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile (PubChem CID 53002537) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 6-fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
PubChem CID53002537
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name6-fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C20H21FN4O2/c21-16-1-2-18-17(11-16)19(15(12-22)13-23-18)24-5-3-14(4-6-24)20(26)25-7-9-27-10-8-25/h1-2,11,13-14H,3-10H2
InChIKeyBKZZULBYXNAOKW-UHFFFAOYSA-N
XLogP2.32
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 6-fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile (CID 53002537) is 6-fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 6-fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 6-fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile is N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of 6-fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile?
The InChIKey is BKZZULBYXNAOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c21-16-1-2-18-17(11-16)19(15(12-22)13-23-18)24-5-3-14(4-6-24)20(26)25-7-9-27-10-8-25/h1-2,11,13-14H,3-10H2.
What are the key properties of 6-fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile?
6-fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile has a molecular weight of 368.41 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 53002537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).