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

C24H30N2O3 — CID 66682764

IUPAC1-(3-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one
SMILESCOc1cccc(N2C(=O)CCc3cc(OCCCN4CCC[C@H]4C)ccc32)c1
InChIInChI=1S/C24H30N2O3/c1-18-6-4-13-25(18)14-5-15-29-22-10-11-23-19(16-22)9-12-24(27)26(23)20-7-3-8-21(17-20)28-2/h3,7-8,10-11,16-18H,4-6,9,12-15H2,1-2H3/t18-/m1/s1
InChIKeyDDGKVXJGNFHTQX-GOSISDBHSA-N
MW394.52 g/mol
LogP4.56
Rot. Bonds7

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

1-(3-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one (PubChem CID 66682764) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one
PubChem CID66682764
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name1-(3-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one
SMILESCOc1cccc(N2C(=O)CCc3cc(OCCCN4CCC[C@H]4C)ccc32)c1
InChIInChI=1S/C24H30N2O3/c1-18-6-4-13-25(18)14-5-15-29-22-10-11-23-19(16-22)9-12-24(27)26(23)20-7-3-8-21(17-20)28-2/h3,7-8,10-11,16-18H,4-6,9,12-15H2,1-2H3/t18-/m1/s1
InChIKeyDDGKVXJGNFHTQX-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-(3-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-(3-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one (CID 66682764) is 1-(3-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-(3-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one is COc1cccc(N2C(=O)CCc3cc(OCCCN4CCC[C@H]4C)ccc32)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one?
The InChIKey is DDGKVXJGNFHTQX-GOSISDBHSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-18-6-4-13-25(18)14-5-15-29-22-10-11-23-19(16-22)9-12-24(27)26(23)20-7-3-8-21(17-20)28-2/h3,7-8,10-11,16-18H,4-6,9,12-15H2,1-2H3/t18-/m1/s1.
What are the key properties of 1-(3-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one?
1-(3-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-(3-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 66682764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).