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

C24H31N3O2 — CID 3067091

IUPAC6-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCCOc1ccccc1N1CCN(CCCc2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C24H31N3O2/c1-2-29-23-8-4-3-7-22(23)27-16-14-26(15-17-27)13-5-6-19-9-11-21-20(18-19)10-12-24(28)25-21/h3-4,7-9,11,18H,2,5-6,10,12-17H2,1H3,(H,25,28)
InChIKeyLNNZZDORFCHETO-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.72
Rot. Bonds7

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

6-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 3067091) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 6-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID3067091
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name6-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCCOc1ccccc1N1CCN(CCCc2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C24H31N3O2/c1-2-29-23-8-4-3-7-22(23)27-16-14-26(15-17-27)13-5-6-19-9-11-21-20(18-19)10-12-24(28)25-21/h3-4,7-9,11,18H,2,5-6,10,12-17H2,1H3,(H,25,28)
InChIKeyLNNZZDORFCHETO-UHFFFAOYSA-N
XLogP3.72
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one (CID 3067091) is 6-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one is CCOc1ccccc1N1CCN(CCCc2ccc3c(c2)CCC(=O)N3)CC1.
What is the InChIKey of 6-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is LNNZZDORFCHETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-2-29-23-8-4-3-7-22(23)27-16-14-26(15-17-27)13-5-6-19-9-11-21-20(18-19)10-12-24(28)25-21/h3-4,7-9,11,18H,2,5-6,10,12-17H2,1H3,(H,25,28).
What are the key properties of 6-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one?
6-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 393.53 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 3067091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).