6-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one

C24H31N3O3 — CID 3058749

IUPAC6-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCCOc1ccccc1N1CCN(CCCOc2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C24H31N3O3/c1-2-29-23-7-4-3-6-22(23)27-15-13-26(14-16-27)12-5-17-30-20-9-10-21-19(18-20)8-11-24(28)25-21/h3-4,6-7,9-10,18H,2,5,8,11-17H2,1H3,(H,25,28)
InChIKeyPSFSFRWKLXZAQY-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.56
Rot. Bonds8

About 6-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one

6-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 3058749) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 6-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID3058749
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name6-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCCOc1ccccc1N1CCN(CCCOc2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C24H31N3O3/c1-2-29-23-7-4-3-6-22(23)27-15-13-26(14-16-27)12-5-17-30-20-9-10-21-19(18-20)8-11-24(28)25-21/h3-4,6-7,9-10,18H,2,5,8,11-17H2,1H3,(H,25,28)
InChIKeyPSFSFRWKLXZAQY-UHFFFAOYSA-N
XLogP3.56
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one (CID 3058749) is 6-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one is CCOc1ccccc1N1CCN(CCCOc2ccc3c(c2)CCC(=O)N3)CC1.
What is the InChIKey of 6-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is PSFSFRWKLXZAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-2-29-23-7-4-3-6-22(23)27-15-13-26(14-16-27)12-5-17-30-20-9-10-21-19(18-20)8-11-24(28)25-21/h3-4,6-7,9-10,18H,2,5,8,11-17H2,1H3,(H,25,28).
What are the key properties of 6-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 409.53 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 3058749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).