7-[3-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]propoxy]-3,4-dihydro-1H-quinolin-2-one

C23H28N2O3 — CID 164619589

IUPAC7-[3-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]propoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccccc1C1CC1CNCCCOc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C23H28N2O3/c1-27-22-6-3-2-5-19(22)20-13-17(20)15-24-11-4-12-28-18-9-7-16-8-10-23(26)25-21(16)14-18/h2-3,5-7,9,14,17,20,24H,4,8,10-13,15H2,1H3,(H,25,26)
InChIKeyQEUWXRKGMNJLQY-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.74
Rot. Bonds9

About 7-[3-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]propoxy]-3,4-dihydro-1H-quinolin-2-one

7-[3-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]propoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 164619589) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 7-[3-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]propoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[3-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]propoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID164619589
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name7-[3-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]propoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccccc1C1CC1CNCCCOc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C23H28N2O3/c1-27-22-6-3-2-5-19(22)20-13-17(20)15-24-11-4-12-28-18-9-7-16-8-10-23(26)25-21(16)14-18/h2-3,5-7,9,14,17,20,24H,4,8,10-13,15H2,1H3,(H,25,26)
InChIKeyQEUWXRKGMNJLQY-UHFFFAOYSA-N
XLogP3.74
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.74
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-[3-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]propoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[3-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]propoxy]-3,4-dihydro-1H-quinolin-2-one (CID 164619589) is 7-[3-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]propoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[3-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]propoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[3-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]propoxy]-3,4-dihydro-1H-quinolin-2-one is COc1ccccc1C1CC1CNCCCOc1ccc2c(c1)NC(=O)CC2.
What is the InChIKey of 7-[3-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]propoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QEUWXRKGMNJLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-27-22-6-3-2-5-19(22)20-13-17(20)15-24-11-4-12-28-18-9-7-16-8-10-23(26)25-21(16)14-18/h2-3,5-7,9,14,17,20,24H,4,8,10-13,15H2,1H3,(H,25,26).
What are the key properties of 7-[3-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]propoxy]-3,4-dihydro-1H-quinolin-2-one?
7-[3-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]propoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 380.49 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]propoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 164619589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).