1-[4-(1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl)piperidin-1-yl]ethanone

C22H32N2O3 — CID 118306000

IUPAC1-[4-(1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl)piperidin-1-yl]ethanone
SMILESCCCOc1c(C2CCN(C(C)=O)CC2)ccc2c1CCC(C)N2C(C)=O
InChIInChI=1S/C22H32N2O3/c1-5-14-27-22-19(18-10-12-23(13-11-18)16(3)25)8-9-21-20(22)7-6-15(2)24(21)17(4)26/h8-9,15,18H,5-7,10-14H2,1-4H3
InChIKeyXOOQEBVWOOXWQB-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.89
Rot. Bonds4

About 1-[4-(1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl)piperidin-1-yl]ethanone

1-[4-(1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl)piperidin-1-yl]ethanone (PubChem CID 118306000) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-[4-(1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl)piperidin-1-yl]ethanone
PubChem CID118306000
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name1-[4-(1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl)piperidin-1-yl]ethanone
SMILESCCCOc1c(C2CCN(C(C)=O)CC2)ccc2c1CCC(C)N2C(C)=O
InChIInChI=1S/C22H32N2O3/c1-5-14-27-22-19(18-10-12-23(13-11-18)16(3)25)8-9-21-20(22)7-6-15(2)24(21)17(4)26/h8-9,15,18H,5-7,10-14H2,1-4H3
InChIKeyXOOQEBVWOOXWQB-UHFFFAOYSA-N
XLogP3.89
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl)piperidin-1-yl]ethanone (CID 118306000) is 1-[4-(1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl)piperidin-1-yl]ethanone is CCCOc1c(C2CCN(C(C)=O)CC2)ccc2c1CCC(C)N2C(C)=O.
What is the InChIKey of 1-[4-(1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl)piperidin-1-yl]ethanone?
The InChIKey is XOOQEBVWOOXWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-5-14-27-22-19(18-10-12-23(13-11-18)16(3)25)8-9-21-20(22)7-6-15(2)24(21)17(4)26/h8-9,15,18H,5-7,10-14H2,1-4H3.
What are the key properties of 1-[4-(1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl)piperidin-1-yl]ethanone?
1-[4-(1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl)piperidin-1-yl]ethanone has a molecular weight of 372.51 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 118306000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).