7-[3-[ethyl-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methyl]amino]propoxy]-3,4-dihydro-1H-quinolin-2-one

C25H31FN2O3 — CID 164621351

IUPAC7-[3-[ethyl-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methyl]amino]propoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCCN(CCCOc1ccc2c(c1)NC(=O)CC2)CC1CC1c1cc(F)ccc1OC
InChIInChI=1S/C25H31FN2O3/c1-3-28(16-18-13-21(18)22-14-19(26)7-9-24(22)30-2)11-4-12-31-20-8-5-17-6-10-25(29)27-23(17)15-20/h5,7-9,14-15,18,21H,3-4,6,10-13,16H2,1-2H3,(H,27,29)
InChIKeyOIXWMGVKJCJKNE-UHFFFAOYSA-N
MW426.53 g/mol
LogP4.61
Rot. Bonds10

About 7-[3-[ethyl-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methyl]amino]propoxy]-3,4-dihydro-1H-quinolin-2-one

7-[3-[ethyl-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methyl]amino]propoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 164621351) has the molecular formula C25H31FN2O3 and a molecular weight of 426.53 g/mol. Its IUPAC name is 7-[3-[ethyl-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methyl]amino]propoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[3-[ethyl-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methyl]amino]propoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID164621351
Molecular FormulaC25H31FN2O3
Molecular Weight426.53 g/mol
Exact Mass426.23
IUPAC Name7-[3-[ethyl-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methyl]amino]propoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCCN(CCCOc1ccc2c(c1)NC(=O)CC2)CC1CC1c1cc(F)ccc1OC
InChIInChI=1S/C25H31FN2O3/c1-3-28(16-18-13-21(18)22-14-19(26)7-9-24(22)30-2)11-4-12-31-20-8-5-17-6-10-25(29)27-23(17)15-20/h5,7-9,14-15,18,21H,3-4,6,10-13,16H2,1-2H3,(H,27,29)
InChIKeyOIXWMGVKJCJKNE-UHFFFAOYSA-N
XLogP4.61
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 54.61
H-Bond Donors ≤ 51
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-[3-[ethyl-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methyl]amino]propoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[3-[ethyl-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methyl]amino]propoxy]-3,4-dihydro-1H-quinolin-2-one (CID 164621351) is 7-[3-[ethyl-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methyl]amino]propoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[3-[ethyl-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methyl]amino]propoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[3-[ethyl-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methyl]amino]propoxy]-3,4-dihydro-1H-quinolin-2-one is CCN(CCCOc1ccc2c(c1)NC(=O)CC2)CC1CC1c1cc(F)ccc1OC.
What is the InChIKey of 7-[3-[ethyl-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methyl]amino]propoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is OIXWMGVKJCJKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O3/c1-3-28(16-18-13-21(18)22-14-19(26)7-9-24(22)30-2)11-4-12-31-20-8-5-17-6-10-25(29)27-23(17)15-20/h5,7-9,14-15,18,21H,3-4,6,10-13,16H2,1-2H3,(H,27,29).
What are the key properties of 7-[3-[ethyl-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methyl]amino]propoxy]-3,4-dihydro-1H-quinolin-2-one?
7-[3-[ethyl-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methyl]amino]propoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 426.53 g/mol, XLogP of 4.61, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[ethyl-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methyl]amino]propoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 164621351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).