7-(cyclohexylamino)-6-fluoro-4-oxo-1-pyrrolidin-3-ylquinoline-3-carbonitrile

C20H23FN4O — CID 66636765

IUPAC7-(cyclohexylamino)-6-fluoro-4-oxo-1-pyrrolidin-3-ylquinoline-3-carbonitrile
SMILESN#Cc1cn(C2CCNC2)c2cc(NC3CCCCC3)c(F)cc2c1=O
InChIInChI=1S/C20H23FN4O/c21-17-8-16-19(9-18(17)24-14-4-2-1-3-5-14)25(15-6-7-23-11-15)12-13(10-22)20(16)26/h8-9,12,14-15,23-24H,1-7,11H2
InChIKeyIEJVJYVGKYWSLE-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.29
Rot. Bonds3

About 7-(cyclohexylamino)-6-fluoro-4-oxo-1-pyrrolidin-3-ylquinoline-3-carbonitrile

7-(cyclohexylamino)-6-fluoro-4-oxo-1-pyrrolidin-3-ylquinoline-3-carbonitrile (PubChem CID 66636765) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is 7-(cyclohexylamino)-6-fluoro-4-oxo-1-pyrrolidin-3-ylquinoline-3-carbonitrile.

Molecular Properties

Compound Name7-(cyclohexylamino)-6-fluoro-4-oxo-1-pyrrolidin-3-ylquinoline-3-carbonitrile
PubChem CID66636765
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name7-(cyclohexylamino)-6-fluoro-4-oxo-1-pyrrolidin-3-ylquinoline-3-carbonitrile
SMILESN#Cc1cn(C2CCNC2)c2cc(NC3CCCCC3)c(F)cc2c1=O
InChIInChI=1S/C20H23FN4O/c21-17-8-16-19(9-18(17)24-14-4-2-1-3-5-14)25(15-6-7-23-11-15)12-13(10-22)20(16)26/h8-9,12,14-15,23-24H,1-7,11H2
InChIKeyIEJVJYVGKYWSLE-UHFFFAOYSA-N
XLogP3.29
TPSA69.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylamino)-6-fluoro-4-oxo-1-pyrrolidin-3-ylquinoline-3-carbonitrile?
The IUPAC name of 7-(cyclohexylamino)-6-fluoro-4-oxo-1-pyrrolidin-3-ylquinoline-3-carbonitrile (CID 66636765) is 7-(cyclohexylamino)-6-fluoro-4-oxo-1-pyrrolidin-3-ylquinoline-3-carbonitrile.
What is the SMILES notation for 7-(cyclohexylamino)-6-fluoro-4-oxo-1-pyrrolidin-3-ylquinoline-3-carbonitrile?
The canonical SMILES for 7-(cyclohexylamino)-6-fluoro-4-oxo-1-pyrrolidin-3-ylquinoline-3-carbonitrile is N#Cc1cn(C2CCNC2)c2cc(NC3CCCCC3)c(F)cc2c1=O.
What is the InChIKey of 7-(cyclohexylamino)-6-fluoro-4-oxo-1-pyrrolidin-3-ylquinoline-3-carbonitrile?
The InChIKey is IEJVJYVGKYWSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c21-17-8-16-19(9-18(17)24-14-4-2-1-3-5-14)25(15-6-7-23-11-15)12-13(10-22)20(16)26/h8-9,12,14-15,23-24H,1-7,11H2.
What are the key properties of 7-(cyclohexylamino)-6-fluoro-4-oxo-1-pyrrolidin-3-ylquinoline-3-carbonitrile?
7-(cyclohexylamino)-6-fluoro-4-oxo-1-pyrrolidin-3-ylquinoline-3-carbonitrile has a molecular weight of 354.43 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylamino)-6-fluoro-4-oxo-1-pyrrolidin-3-ylquinoline-3-carbonitrile is sourced from PubChem (CID 66636765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).