7-[5-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]pentoxy]-1H-quinolin-2-one

C25H30N2O3 — CID 164622481

IUPAC7-[5-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]pentoxy]-1H-quinolin-2-one
SMILESCOc1ccccc1C1CC1CNCCCCCOc1ccc2ccc(=O)[nH]c2c1
InChIInChI=1S/C25H30N2O3/c1-29-24-8-4-3-7-21(24)22-15-19(22)17-26-13-5-2-6-14-30-20-11-9-18-10-12-25(28)27-23(18)16-20/h3-4,7-12,16,19,22,26H,2,5-6,13-15,17H2,1H3,(H,27,28)
InChIKeyGHYIIELOMOENPF-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.48
Rot. Bonds11

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

7-[5-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]pentoxy]-1H-quinolin-2-one (PubChem CID 164622481) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 7-[5-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]pentoxy]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[5-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]pentoxy]-1H-quinolin-2-one
PubChem CID164622481
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name7-[5-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]pentoxy]-1H-quinolin-2-one
SMILESCOc1ccccc1C1CC1CNCCCCCOc1ccc2ccc(=O)[nH]c2c1
InChIInChI=1S/C25H30N2O3/c1-29-24-8-4-3-7-21(24)22-15-19(22)17-26-13-5-2-6-14-30-20-11-9-18-10-12-25(28)27-23(18)16-20/h3-4,7-12,16,19,22,26H,2,5-6,13-15,17H2,1H3,(H,27,28)
InChIKeyGHYIIELOMOENPF-UHFFFAOYSA-N
XLogP4.48
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.48
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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Related Compounds

7-[4-[ethyl-[[(1R,2R)-2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methyl]amino]butoxy]-1H-quinolin-2-one
CID 156785356
7-[5-(hydroxyamino)pentoxy]-1H-quinolin-2-one
CID 118707059
N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62704571
ethane;7-pentoxy-1H-quinolin-2-one
CID 144829550
N-[4-[2-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]-1H-indole-2-carboxamide
CID 156785352
7-(5-methylhexoxy)-1H-quinolin-2-one
CID 137474488
N-[[2-(2-ethoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine
CID 62712834
7-[(E)-4-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methylamino]but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one
CID 156785339
7-ethoxy-1H-quinolin-2-one
CID 123474288
7-[4-[[2-(2-methylthiophen-3-yl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 175164276
7-[4-(4-methylpiperazin-1-yl)butoxy]-1H-quinolin-2-one
CID 172693991
7-(4-pyrrolidin-1-ylbutoxy)-1H-quinolin-2-one
CID 175845391

Frequently Asked Questions

What is the IUPAC name of 7-[5-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]pentoxy]-1H-quinolin-2-one?
The IUPAC name of 7-[5-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]pentoxy]-1H-quinolin-2-one (CID 164622481) is 7-[5-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]pentoxy]-1H-quinolin-2-one.
What is the SMILES notation for 7-[5-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]pentoxy]-1H-quinolin-2-one?
The canonical SMILES for 7-[5-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]pentoxy]-1H-quinolin-2-one is COc1ccccc1C1CC1CNCCCCCOc1ccc2ccc(=O)[nH]c2c1.
What is the InChIKey of 7-[5-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]pentoxy]-1H-quinolin-2-one?
The InChIKey is GHYIIELOMOENPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-29-24-8-4-3-7-21(24)22-15-19(22)17-26-13-5-2-6-14-30-20-11-9-18-10-12-25(28)27-23(18)16-20/h3-4,7-12,16,19,22,26H,2,5-6,13-15,17H2,1H3,(H,27,28).
What are the key properties of 7-[5-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]pentoxy]-1H-quinolin-2-one?
7-[5-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]pentoxy]-1H-quinolin-2-one has a molecular weight of 406.53 g/mol, XLogP of 4.48, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]pentoxy]-1H-quinolin-2-one is sourced from PubChem (CID 164622481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).