1-(4-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one

C24H30N2O3 — CID 46866130

IUPAC1-(4-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one
SMILESCOc1ccc(N2C(=O)CCc3cc(OCCCN4CCC[C@H]4C)ccc32)cc1
InChIInChI=1S/C24H30N2O3/c1-18-5-3-14-25(18)15-4-16-29-22-11-12-23-19(17-22)6-13-24(27)26(23)20-7-9-21(28-2)10-8-20/h7-12,17-18H,3-6,13-16H2,1-2H3/t18-/m1/s1
InChIKeyANPTZSJZEZSISI-GOSISDBHSA-N
MW394.52 g/mol
LogP4.56
Rot. Bonds7

About 1-(4-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one

1-(4-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one (PubChem CID 46866130) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one
PubChem CID46866130
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name1-(4-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one
SMILESCOc1ccc(N2C(=O)CCc3cc(OCCCN4CCC[C@H]4C)ccc32)cc1
InChIInChI=1S/C24H30N2O3/c1-18-5-3-14-25(18)15-4-16-29-22-11-12-23-19(17-22)6-13-24(27)26(23)20-7-9-21(28-2)10-8-20/h7-12,17-18H,3-6,13-16H2,1-2H3/t18-/m1/s1
InChIKeyANPTZSJZEZSISI-GOSISDBHSA-N
XLogP4.56
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.56
H-Bond Donors ≤ 50
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 1-(4-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one (CID 46866130) is 1-(4-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one is COc1ccc(N2C(=O)CCc3cc(OCCCN4CCC[C@H]4C)ccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one?
The InChIKey is ANPTZSJZEZSISI-GOSISDBHSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-18-5-3-14-25(18)15-4-16-29-22-11-12-23-19(17-22)6-13-24(27)26(23)20-7-9-21(28-2)10-8-20/h7-12,17-18H,3-6,13-16H2,1-2H3/t18-/m1/s1.
What are the key properties of 1-(4-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one?
1-(4-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one has a molecular weight of 394.52 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 46866130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).