[4-[(2-ethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone

C23H24FN3O2 — CID 53333897

IUPAC[4-[(2-ethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCCOc1ccccc1CNc1c(C(=O)N2CCCC2)cnc2ccc(F)cc12
InChIInChI=1S/C23H24FN3O2/c1-2-29-21-8-4-3-7-16(21)14-26-22-18-13-17(24)9-10-20(18)25-15-19(22)23(28)27-11-5-6-12-27/h3-4,7-10,13,15H,2,5-6,11-12,14H2,1H3,(H,25,26)
InChIKeyKQANNTCDHGNEID-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.62
Rot. Bonds6

About [4-[(2-ethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone

[4-[(2-ethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 53333897) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is [4-[(2-ethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[(2-ethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID53333897
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name[4-[(2-ethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCCOc1ccccc1CNc1c(C(=O)N2CCCC2)cnc2ccc(F)cc12
InChIInChI=1S/C23H24FN3O2/c1-2-29-21-8-4-3-7-16(21)14-26-22-18-13-17(24)9-10-20(18)25-15-19(22)23(28)27-11-5-6-12-27/h3-4,7-10,13,15H,2,5-6,11-12,14H2,1H3,(H,25,26)
InChIKeyKQANNTCDHGNEID-UHFFFAOYSA-N
XLogP4.62
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(3-ethoxy-4-methoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53333929
[6-fluoro-4-[(4-methylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone
CID 53333974
[4-[(3-chloro-4-fluorophenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53333912
[4-(1,3-benzodioxol-5-ylmethylamino)-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone
CID 53333981
[4-(2-ethylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
CID 53001536
[6-fluoro-4-(3-methoxyanilino)quinolin-3-yl]-piperidin-1-ylmethanone
CID 53001502
ethyl 4-(benzylamino)-6-fluoroquinoline-3-carboxylate
CID 732002
[6-chloro-4-[(4-ethylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone
CID 71825088
[4-[(3-bromophenyl)methylamino]-6-fluoroquinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 71825043
[6-fluoro-4-[1-(4-methoxyphenyl)ethylamino]quinolin-3-yl]-piperidin-1-ylmethanone
CID 53334001
[4-(2,4-dichloroanilino)-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53032705
ethyl 4-(2,2-difluoroethylamino)-6-fluoroquinoline-3-carboxylate
CID 133368454

Frequently Asked Questions

What is the IUPAC name of [4-[(2-ethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[(2-ethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone (CID 53333897) is [4-[(2-ethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[(2-ethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[(2-ethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone is CCOc1ccccc1CNc1c(C(=O)N2CCCC2)cnc2ccc(F)cc12.
What is the InChIKey of [4-[(2-ethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is KQANNTCDHGNEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-2-29-21-8-4-3-7-16(21)14-26-22-18-13-17(24)9-10-20(18)25-15-19(22)23(28)27-11-5-6-12-27/h3-4,7-10,13,15H,2,5-6,11-12,14H2,1H3,(H,25,26).
What are the key properties of [4-[(2-ethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone?
[4-[(2-ethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 393.46 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-ethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53333897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).