[4-(2-ethylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone

C22H22FN3O2 — CID 53001536

IUPAC[4-(2-ethylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
SMILESCCc1ccccc1Nc1c(C(=O)N2CCOCC2)cnc2ccc(F)cc12
InChIInChI=1S/C22H22FN3O2/c1-2-15-5-3-4-6-19(15)25-21-17-13-16(23)7-8-20(17)24-14-18(21)22(27)26-9-11-28-12-10-26/h3-8,13-14H,2,9-12H2,1H3,(H,24,25)
InChIKeyCBNLHKOHOBWKDS-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.15
Rot. Bonds4

About [4-(2-ethylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone

[4-(2-ethylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone (PubChem CID 53001536) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is [4-(2-ethylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2-ethylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
PubChem CID53001536
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name[4-(2-ethylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
SMILESCCc1ccccc1Nc1c(C(=O)N2CCOCC2)cnc2ccc(F)cc12
InChIInChI=1S/C22H22FN3O2/c1-2-15-5-3-4-6-19(15)25-21-17-13-16(23)7-8-20(17)24-14-18(21)22(27)26-9-11-28-12-10-26/h3-8,13-14H,2,9-12H2,1H3,(H,24,25)
InChIKeyCBNLHKOHOBWKDS-UHFFFAOYSA-N
XLogP4.15
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-ethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
CID 53001473
[4-(2-chloro-4-methylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
CID 53001687
(4-chloro-6-fluoroquinolin-3-yl)-morpholin-4-ylmethanone
CID 83290736
[4-[(2-ethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53333897
[4-(2,4-dichloroanilino)-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53032705
[4-(2-chloro-4-methylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
CID 27371221
[6-fluoro-4-(3-fluoroanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 53001564
[6-fluoro-4-(3-methoxyanilino)quinolin-3-yl]-piperidin-1-ylmethanone
CID 53001502
[4-(2,6-dimethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
CID 53001478
[4-[2-chloro-5-(trifluoromethyl)anilino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53052655
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
CID 142581622
[4-(1,3-benzodioxol-5-ylmethylamino)-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone
CID 53333981

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(2-ethylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone (CID 53001536) is [4-(2-ethylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(2-ethylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(2-ethylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone is CCc1ccccc1Nc1c(C(=O)N2CCOCC2)cnc2ccc(F)cc12.
What is the InChIKey of [4-(2-ethylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is CBNLHKOHOBWKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-2-15-5-3-4-6-19(15)25-21-17-13-16(23)7-8-20(17)24-14-18(21)22(27)26-9-11-28-12-10-26/h3-8,13-14H,2,9-12H2,1H3,(H,24,25).
What are the key properties of [4-(2-ethylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone?
[4-(2-ethylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 379.44 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 53001536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).