3-[1-(2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-phenylpiperazin-2-yl]propanamide

C22H26N4O2 — CID 134377164

IUPAC3-[1-(2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-phenylpiperazin-2-yl]propanamide
SMILESNC(=O)CCC1CN(c2ccccc2)CCN1c1cccc2c1NC(=O)CC2
InChIInChI=1S/C22H26N4O2/c23-20(27)11-10-18-15-25(17-6-2-1-3-7-17)13-14-26(18)19-8-4-5-16-9-12-21(28)24-22(16)19/h1-8,18H,9-15H2,(H2,23,27)(H,24,28)
InChIKeyNICOLABALJWPAH-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.53
Rot. Bonds5

About 3-[1-(2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-phenylpiperazin-2-yl]propanamide

3-[1-(2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-phenylpiperazin-2-yl]propanamide (PubChem CID 134377164) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-[1-(2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-phenylpiperazin-2-yl]propanamide.

Molecular Properties

Compound Name3-[1-(2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-phenylpiperazin-2-yl]propanamide
PubChem CID134377164
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name3-[1-(2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-phenylpiperazin-2-yl]propanamide
SMILESNC(=O)CCC1CN(c2ccccc2)CCN1c1cccc2c1NC(=O)CC2
InChIInChI=1S/C22H26N4O2/c23-20(27)11-10-18-15-25(17-6-2-1-3-7-17)13-14-26(18)19-8-4-5-16-9-12-21(28)24-22(16)19/h1-8,18H,9-15H2,(H2,23,27)(H,24,28)
InChIKeyNICOLABALJWPAH-UHFFFAOYSA-N
XLogP2.53
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-phenylpiperazin-2-yl]propanamide?
The IUPAC name of 3-[1-(2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-phenylpiperazin-2-yl]propanamide (CID 134377164) is 3-[1-(2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-phenylpiperazin-2-yl]propanamide.
What is the SMILES notation for 3-[1-(2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-phenylpiperazin-2-yl]propanamide?
The canonical SMILES for 3-[1-(2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-phenylpiperazin-2-yl]propanamide is NC(=O)CCC1CN(c2ccccc2)CCN1c1cccc2c1NC(=O)CC2.
What is the InChIKey of 3-[1-(2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-phenylpiperazin-2-yl]propanamide?
The InChIKey is NICOLABALJWPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c23-20(27)11-10-18-15-25(17-6-2-1-3-7-17)13-14-26(18)19-8-4-5-16-9-12-21(28)24-22(16)19/h1-8,18H,9-15H2,(H2,23,27)(H,24,28).
What are the key properties of 3-[1-(2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-phenylpiperazin-2-yl]propanamide?
3-[1-(2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-phenylpiperazin-2-yl]propanamide has a molecular weight of 378.48 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-phenylpiperazin-2-yl]propanamide is sourced from PubChem (CID 134377164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).