2-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-N-phenylacetamide

C22H24N4O3 — CID 31151766

IUPAC2-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1)Nc1ccccc1
InChIInChI=1S/C22H24N4O3/c27-20-9-7-16-14-17(6-8-19(16)24-20)22(29)26-12-10-25(11-13-26)15-21(28)23-18-4-2-1-3-5-18/h1-6,8,14H,7,9-13,15H2,(H,23,28)(H,24,27)
InChIKeyOFVJDJWWANPMRY-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.97
Rot. Bonds4

About 2-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-N-phenylacetamide

2-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-N-phenylacetamide (PubChem CID 31151766) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-N-phenylacetamide
PubChem CID31151766
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1)Nc1ccccc1
InChIInChI=1S/C22H24N4O3/c27-20-9-7-16-14-17(6-8-19(16)24-20)22(29)26-12-10-25(11-13-26)15-21(28)23-18-4-2-1-3-5-18/h1-6,8,14H,7,9-13,15H2,(H,23,28)(H,24,27)
InChIKeyOFVJDJWWANPMRY-UHFFFAOYSA-N
XLogP1.97
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 34432781
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 30780885
6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 13369772
6-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 110815253
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149355
6-(4-hexylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 13195369
6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 110800015
6-[4-(2-fluorobenzoyl)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 78850215
N-phenyl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]acetamide
CID 31150749
6-[4-(cyclopentanecarbonyl)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 110807504
6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 38047191
2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31151705

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-N-phenylacetamide (CID 31151766) is 2-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-N-phenylacetamide is O=C(CN1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1)Nc1ccccc1.
What is the InChIKey of 2-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-N-phenylacetamide?
The InChIKey is OFVJDJWWANPMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c27-20-9-7-16-14-17(6-8-19(16)24-20)22(29)26-12-10-25(11-13-26)15-21(28)23-18-4-2-1-3-5-18/h1-6,8,14H,7,9-13,15H2,(H,23,28)(H,24,27).
What are the key properties of 2-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-N-phenylacetamide?
2-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-N-phenylacetamide has a molecular weight of 392.46 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 31151766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).