1-(3-fluoro-5-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one

C24H29FN2O3 — CID 66682122

IUPAC1-(3-fluoro-5-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one
SMILESCOc1cc(F)cc(N2C(=O)CCc3cc(OCCCN4CCC[C@H]4C)ccc32)c1
InChIInChI=1S/C24H29FN2O3/c1-17-5-3-10-26(17)11-4-12-30-21-7-8-23-18(13-21)6-9-24(28)27(23)20-14-19(25)15-22(16-20)29-2/h7-8,13-17H,3-6,9-12H2,1-2H3/t17-/m1/s1
InChIKeyCOFPNKTYQLDHHB-QGZVFWFLSA-N
MW412.51 g/mol
LogP4.70
Rot. Bonds7

About 1-(3-fluoro-5-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one

1-(3-fluoro-5-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one (PubChem CID 66682122) has the molecular formula C24H29FN2O3 and a molecular weight of 412.51 g/mol. Its IUPAC name is 1-(3-fluoro-5-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-(3-fluoro-5-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one
PubChem CID66682122
Molecular FormulaC24H29FN2O3
Molecular Weight412.51 g/mol
Exact Mass412.22
IUPAC Name1-(3-fluoro-5-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one
SMILESCOc1cc(F)cc(N2C(=O)CCc3cc(OCCCN4CCC[C@H]4C)ccc32)c1
InChIInChI=1S/C24H29FN2O3/c1-17-5-3-10-26(17)11-4-12-30-21-7-8-23-18(13-21)6-9-24(28)27(23)20-14-19(25)15-22(16-20)29-2/h7-8,13-17H,3-6,9-12H2,1-2H3/t17-/m1/s1
InChIKeyCOFPNKTYQLDHHB-QGZVFWFLSA-N
XLogP4.70
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.70
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-fluoro-5-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-(3-fluoro-5-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one (CID 66682122) is 1-(3-fluoro-5-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-(3-fluoro-5-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-(3-fluoro-5-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one is COc1cc(F)cc(N2C(=O)CCc3cc(OCCCN4CCC[C@H]4C)ccc32)c1.
What is the InChIKey of 1-(3-fluoro-5-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one?
The InChIKey is COFPNKTYQLDHHB-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H29FN2O3/c1-17-5-3-10-26(17)11-4-12-30-21-7-8-23-18(13-21)6-9-24(28)27(23)20-14-19(25)15-22(16-20)29-2/h7-8,13-17H,3-6,9-12H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-(3-fluoro-5-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one?
1-(3-fluoro-5-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one has a molecular weight of 412.51 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methoxyphenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 66682122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).