7-[4-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methylamino]butoxy]-1H-quinolin-2-one

C24H27FN2O3 — CID 163728602

IUPAC7-[4-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methylamino]butoxy]-1H-quinolin-2-one
SMILESCOc1ccc(F)cc1C1CC1CNCCCCOc1ccc2ccc(=O)[nH]c2c1
InChIInChI=1S/C24H27FN2O3/c1-29-23-8-6-18(25)13-21(23)20-12-17(20)15-26-10-2-3-11-30-19-7-4-16-5-9-24(28)27-22(16)14-19/h4-9,13-14,17,20,26H,2-3,10-12,15H2,1H3,(H,27,28)
InChIKeyKXRNXSYVAAEIGF-UHFFFAOYSA-N
MW410.49 g/mol
LogP4.23
Rot. Bonds10

About 7-[4-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methylamino]butoxy]-1H-quinolin-2-one

7-[4-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methylamino]butoxy]-1H-quinolin-2-one (PubChem CID 163728602) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is 7-[4-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methylamino]butoxy]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[4-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methylamino]butoxy]-1H-quinolin-2-one
PubChem CID163728602
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name7-[4-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methylamino]butoxy]-1H-quinolin-2-one
SMILESCOc1ccc(F)cc1C1CC1CNCCCCOc1ccc2ccc(=O)[nH]c2c1
InChIInChI=1S/C24H27FN2O3/c1-29-23-8-6-18(25)13-21(23)20-12-17(20)15-26-10-2-3-11-30-19-7-4-16-5-9-24(28)27-22(16)14-19/h4-9,13-14,17,20,26H,2-3,10-12,15H2,1H3,(H,27,28)
InChIKeyKXRNXSYVAAEIGF-UHFFFAOYSA-N
XLogP4.23
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.23
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-[4-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methylamino]butoxy]-1H-quinolin-2-one?
The IUPAC name of 7-[4-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methylamino]butoxy]-1H-quinolin-2-one (CID 163728602) is 7-[4-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methylamino]butoxy]-1H-quinolin-2-one.
What is the SMILES notation for 7-[4-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methylamino]butoxy]-1H-quinolin-2-one?
The canonical SMILES for 7-[4-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methylamino]butoxy]-1H-quinolin-2-one is COc1ccc(F)cc1C1CC1CNCCCCOc1ccc2ccc(=O)[nH]c2c1.
What is the InChIKey of 7-[4-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methylamino]butoxy]-1H-quinolin-2-one?
The InChIKey is KXRNXSYVAAEIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O3/c1-29-23-8-6-18(25)13-21(23)20-12-17(20)15-26-10-2-3-11-30-19-7-4-16-5-9-24(28)27-22(16)14-19/h4-9,13-14,17,20,26H,2-3,10-12,15H2,1H3,(H,27,28).
What are the key properties of 7-[4-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methylamino]butoxy]-1H-quinolin-2-one?
7-[4-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methylamino]butoxy]-1H-quinolin-2-one has a molecular weight of 410.49 g/mol, XLogP of 4.23, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methylamino]butoxy]-1H-quinolin-2-one is sourced from PubChem (CID 163728602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).