1-benzyl-6-[3-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)propanoyl]-3,4-dihydroquinolin-2-one

C26H26N2O3 — CID 158430852

IUPAC1-benzyl-6-[3-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)propanoyl]-3,4-dihydroquinolin-2-one
SMILESCc1cc(C)c(CCC(=O)c2ccc3c(c2)CCC(=O)N3Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C26H26N2O3/c1-17-14-18(2)27-26(31)22(17)10-12-24(29)21-8-11-23-20(15-21)9-13-25(30)28(23)16-19-6-4-3-5-7-19/h3-8,11,14-15H,9-10,12-13,16H2,1-2H3,(H,27,31)
InChIKeyHBQFOGIUBZWHGQ-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.29
Rot. Bonds6

About 1-benzyl-6-[3-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)propanoyl]-3,4-dihydroquinolin-2-one

1-benzyl-6-[3-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)propanoyl]-3,4-dihydroquinolin-2-one (PubChem CID 158430852) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-benzyl-6-[3-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)propanoyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-benzyl-6-[3-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)propanoyl]-3,4-dihydroquinolin-2-one
PubChem CID158430852
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name1-benzyl-6-[3-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)propanoyl]-3,4-dihydroquinolin-2-one
SMILESCc1cc(C)c(CCC(=O)c2ccc3c(c2)CCC(=O)N3Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C26H26N2O3/c1-17-14-18(2)27-26(31)22(17)10-12-24(29)21-8-11-23-20(15-21)9-13-25(30)28(23)16-19-6-4-3-5-7-19/h3-8,11,14-15H,9-10,12-13,16H2,1-2H3,(H,27,31)
InChIKeyHBQFOGIUBZWHGQ-UHFFFAOYSA-N
XLogP4.29
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-[3-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)propanoyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-benzyl-6-[3-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)propanoyl]-3,4-dihydroquinolin-2-one (CID 158430852) is 1-benzyl-6-[3-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)propanoyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-benzyl-6-[3-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)propanoyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-benzyl-6-[3-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)propanoyl]-3,4-dihydroquinolin-2-one is Cc1cc(C)c(CCC(=O)c2ccc3c(c2)CCC(=O)N3Cc2ccccc2)c(=O)[nH]1.
What is the InChIKey of 1-benzyl-6-[3-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)propanoyl]-3,4-dihydroquinolin-2-one?
The InChIKey is HBQFOGIUBZWHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-17-14-18(2)27-26(31)22(17)10-12-24(29)21-8-11-23-20(15-21)9-13-25(30)28(23)16-19-6-4-3-5-7-19/h3-8,11,14-15H,9-10,12-13,16H2,1-2H3,(H,27,31).
What are the key properties of 1-benzyl-6-[3-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)propanoyl]-3,4-dihydroquinolin-2-one?
1-benzyl-6-[3-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)propanoyl]-3,4-dihydroquinolin-2-one has a molecular weight of 414.51 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-[3-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)propanoyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 158430852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).