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

C25H33N3O2 — CID 3067090

IUPAC6-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCCOc1ccccc1N1CCN(CCCCc2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C25H33N3O2/c1-2-30-24-9-4-3-8-23(24)28-17-15-27(16-18-28)14-6-5-7-20-10-12-22-21(19-20)11-13-25(29)26-22/h3-4,8-10,12,19H,2,5-7,11,13-18H2,1H3,(H,26,29)
InChIKeyFVPTZVIDVHTZHA-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.11
Rot. Bonds8

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

6-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 3067090) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 6-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID3067090
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name6-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCCOc1ccccc1N1CCN(CCCCc2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C25H33N3O2/c1-2-30-24-9-4-3-8-23(24)28-17-15-27(16-18-28)14-6-5-7-20-10-12-22-21(19-20)11-13-25(29)26-22/h3-4,8-10,12,19H,2,5-7,11,13-18H2,1H3,(H,26,29)
InChIKeyFVPTZVIDVHTZHA-UHFFFAOYSA-N
XLogP4.11
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.11
H-Bond Donors ≤ 51
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 6-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one (CID 3067090) is 6-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one is CCOc1ccccc1N1CCN(CCCCc2ccc3c(c2)CCC(=O)N3)CC1.
What is the InChIKey of 6-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FVPTZVIDVHTZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-2-30-24-9-4-3-8-23(24)28-17-15-27(16-18-28)14-6-5-7-20-10-12-22-21(19-20)11-13-25(29)26-22/h3-4,8-10,12,19H,2,5-7,11,13-18H2,1H3,(H,26,29).
What are the key properties of 6-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one?
6-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 407.56 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 3067090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).