7-anilino-1-ethyl-3-[(2-fluoroethylamino)methyl]quinolin-2-one

C20H22FN3O — CID 143687954

IUPAC7-anilino-1-ethyl-3-[(2-fluoroethylamino)methyl]quinolin-2-one
SMILESCCn1c(=O)c(CNCCF)cc2ccc(Nc3ccccc3)cc21
InChIInChI=1S/C20H22FN3O/c1-2-24-19-13-18(23-17-6-4-3-5-7-17)9-8-15(19)12-16(20(24)25)14-22-11-10-21/h3-9,12-13,22-23H,2,10-11,14H2,1H3
InChIKeyCHDYKDBFGZQHLD-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.82
Rot. Bonds7

About 7-anilino-1-ethyl-3-[(2-fluoroethylamino)methyl]quinolin-2-one

7-anilino-1-ethyl-3-[(2-fluoroethylamino)methyl]quinolin-2-one (PubChem CID 143687954) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is 7-anilino-1-ethyl-3-[(2-fluoroethylamino)methyl]quinolin-2-one.

Molecular Properties

Compound Name7-anilino-1-ethyl-3-[(2-fluoroethylamino)methyl]quinolin-2-one
PubChem CID143687954
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name7-anilino-1-ethyl-3-[(2-fluoroethylamino)methyl]quinolin-2-one
SMILESCCn1c(=O)c(CNCCF)cc2ccc(Nc3ccccc3)cc21
InChIInChI=1S/C20H22FN3O/c1-2-24-19-13-18(23-17-6-4-3-5-7-17)9-8-15(19)12-16(20(24)25)14-22-11-10-21/h3-9,12-13,22-23H,2,10-11,14H2,1H3
InChIKeyCHDYKDBFGZQHLD-UHFFFAOYSA-N
XLogP3.82
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-anilino-1-ethyl-3-[(2-fluoroethylamino)methyl]quinolin-2-one?
The IUPAC name of 7-anilino-1-ethyl-3-[(2-fluoroethylamino)methyl]quinolin-2-one (CID 143687954) is 7-anilino-1-ethyl-3-[(2-fluoroethylamino)methyl]quinolin-2-one.
What is the SMILES notation for 7-anilino-1-ethyl-3-[(2-fluoroethylamino)methyl]quinolin-2-one?
The canonical SMILES for 7-anilino-1-ethyl-3-[(2-fluoroethylamino)methyl]quinolin-2-one is CCn1c(=O)c(CNCCF)cc2ccc(Nc3ccccc3)cc21.
What is the InChIKey of 7-anilino-1-ethyl-3-[(2-fluoroethylamino)methyl]quinolin-2-one?
The InChIKey is CHDYKDBFGZQHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c1-2-24-19-13-18(23-17-6-4-3-5-7-17)9-8-15(19)12-16(20(24)25)14-22-11-10-21/h3-9,12-13,22-23H,2,10-11,14H2,1H3.
What are the key properties of 7-anilino-1-ethyl-3-[(2-fluoroethylamino)methyl]quinolin-2-one?
7-anilino-1-ethyl-3-[(2-fluoroethylamino)methyl]quinolin-2-one has a molecular weight of 339.41 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-anilino-1-ethyl-3-[(2-fluoroethylamino)methyl]quinolin-2-one is sourced from PubChem (CID 143687954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).