6-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one

C22H26N4O2 — CID 164609172

IUPAC6-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)CCCN3CCN(c4ccccn4)CC3)ccc2N1
InChIInChI=1S/C22H26N4O2/c27-20(18-6-8-19-17(16-18)7-9-22(28)24-19)4-3-11-25-12-14-26(15-13-25)21-5-1-2-10-23-21/h1-2,5-6,8,10,16H,3-4,7,9,11-15H2,(H,24,28)
InChIKeyNFCAJYXEMNIWPF-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.75
Rot. Bonds6

About 6-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one

6-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 164609172) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 6-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID164609172
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name6-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)CCCN3CCN(c4ccccn4)CC3)ccc2N1
InChIInChI=1S/C22H26N4O2/c27-20(18-6-8-19-17(16-18)7-9-22(28)24-19)4-3-11-25-12-14-26(15-13-25)21-5-1-2-10-23-21/h1-2,5-6,8,10,16H,3-4,7,9,11-15H2,(H,24,28)
InChIKeyNFCAJYXEMNIWPF-UHFFFAOYSA-N
XLogP2.75
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one (CID 164609172) is 6-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(=O)CCCN3CCN(c4ccccn4)CC3)ccc2N1.
What is the InChIKey of 6-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NFCAJYXEMNIWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c27-20(18-6-8-19-17(16-18)7-9-22(28)24-19)4-3-11-25-12-14-26(15-13-25)21-5-1-2-10-23-21/h1-2,5-6,8,10,16H,3-4,7,9,11-15H2,(H,24,28).
What are the key properties of 6-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one?
6-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 378.48 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 164609172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).