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

C24H30N2O3 — CID 164624420

IUPAC7-[4-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccccc1C1CC1CNCCCCOc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C24H30N2O3/c1-28-23-7-3-2-6-20(23)21-14-18(21)16-25-12-4-5-13-29-19-10-8-17-9-11-24(27)26-22(17)15-19/h2-3,6-8,10,15,18,21,25H,4-5,9,11-14,16H2,1H3,(H,26,27)
InChIKeyYSJHXKOMHWRLNV-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.13
Rot. Bonds10

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

7-[4-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 164624420) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 7-[4-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[4-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID164624420
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name7-[4-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccccc1C1CC1CNCCCCOc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C24H30N2O3/c1-28-23-7-3-2-6-20(23)21-14-18(21)16-25-12-4-5-13-29-19-10-8-17-9-11-24(27)26-22(17)15-19/h2-3,6-8,10,15,18,21,25H,4-5,9,11-14,16H2,1H3,(H,26,27)
InChIKeyYSJHXKOMHWRLNV-UHFFFAOYSA-N
XLogP4.13
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.13
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-(2-methoxyphenyl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[4-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one (CID 164624420) is 7-[4-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[4-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[4-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one is COc1ccccc1C1CC1CNCCCCOc1ccc2c(c1)NC(=O)CC2.
What is the InChIKey of 7-[4-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is YSJHXKOMHWRLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-28-23-7-3-2-6-20(23)21-14-18(21)16-25-12-4-5-13-29-19-10-8-17-9-11-24(27)26-22(17)15-19/h2-3,6-8,10,15,18,21,25H,4-5,9,11-14,16H2,1H3,(H,26,27).
What are the key properties of 7-[4-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one?
7-[4-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 394.52 g/mol, XLogP of 4.13, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 164624420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).