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

C24H26N2O2 — CID 3067103

IUPAC6-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)CCCN3CC=C(c4ccccc4)CC3)ccc2N1
InChIInChI=1S/C24H26N2O2/c27-23(21-8-10-22-20(17-21)9-11-24(28)25-22)7-4-14-26-15-12-19(13-16-26)18-5-2-1-3-6-18/h1-3,5-6,8,10,12,17H,4,7,9,11,13-16H2,(H,25,28)
InChIKeyRKXYUCZLLREYFR-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.32
Rot. Bonds6

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

6-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 3067103) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 6-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID3067103
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name6-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)CCCN3CC=C(c4ccccc4)CC3)ccc2N1
InChIInChI=1S/C24H26N2O2/c27-23(21-8-10-22-20(17-21)9-11-24(28)25-22)7-4-14-26-15-12-19(13-16-26)18-5-2-1-3-6-18/h1-3,5-6,8,10,12,17H,4,7,9,11,13-16H2,(H,25,28)
InChIKeyRKXYUCZLLREYFR-UHFFFAOYSA-N
XLogP4.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one (CID 3067103) is 6-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(=O)CCCN3CC=C(c4ccccc4)CC3)ccc2N1.
What is the InChIKey of 6-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is RKXYUCZLLREYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c27-23(21-8-10-22-20(17-21)9-11-24(28)25-22)7-4-14-26-15-12-19(13-16-26)18-5-2-1-3-6-18/h1-3,5-6,8,10,12,17H,4,7,9,11,13-16H2,(H,25,28).
What are the key properties of 6-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one?
6-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 374.48 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 3067103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).