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

C24H29N3O2 — CID 6448083

IUPAC6-[(E)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCCOc1ccccc1N1CCN(C/C=C/c2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C24H29N3O2/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/h3-9,11,18H,2,10,12-17H2,1H3,(H,25,28)/b6-5+
InChIKeyIBAGCSRHNFKBQI-AATRIKPKSA-N
MW391.52 g/mol
LogP3.81
Rot. Bonds6

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

6-[(E)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 6448083) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 6-[(E)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(E)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID6448083
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name6-[(E)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCCOc1ccccc1N1CCN(C/C=C/c2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C24H29N3O2/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/h3-9,11,18H,2,10,12-17H2,1H3,(H,25,28)/b6-5+
InChIKeyIBAGCSRHNFKBQI-AATRIKPKSA-N
XLogP3.81
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(E)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one (CID 6448083) is 6-[(E)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(E)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(E)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one is CCOc1ccccc1N1CCN(C/C=C/c2ccc3c(c2)CCC(=O)N3)CC1.
What is the InChIKey of 6-[(E)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is IBAGCSRHNFKBQI-AATRIKPKSA-N. The full InChI is InChI=1S/C24H29N3O2/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/h3-9,11,18H,2,10,12-17H2,1H3,(H,25,28)/b6-5+.
What are the key properties of 6-[(E)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one?
6-[(E)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 391.52 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 6448083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).