7-bromo-4-[2-(dimethylamino)ethyl]-3-(2-methylpropanoyl)-1H-quinolin-2-one

C17H21BrN2O2 — CID 162665582

IUPAC7-bromo-4-[2-(dimethylamino)ethyl]-3-(2-methylpropanoyl)-1H-quinolin-2-one
SMILESCC(C)C(=O)c1c(CCN(C)C)c2ccc(Br)cc2[nH]c1=O
InChIInChI=1S/C17H21BrN2O2/c1-10(2)16(21)15-13(7-8-20(3)4)12-6-5-11(18)9-14(12)19-17(15)22/h5-6,9-10H,7-8H2,1-4H3,(H,19,22)
InChIKeyLFDIANQTSYBBFW-UHFFFAOYSA-N
MW365.27 g/mol
LogP3.23
Rot. Bonds5

About 7-bromo-4-[2-(dimethylamino)ethyl]-3-(2-methylpropanoyl)-1H-quinolin-2-one

7-bromo-4-[2-(dimethylamino)ethyl]-3-(2-methylpropanoyl)-1H-quinolin-2-one (PubChem CID 162665582) has the molecular formula C17H21BrN2O2 and a molecular weight of 365.27 g/mol. Its IUPAC name is 7-bromo-4-[2-(dimethylamino)ethyl]-3-(2-methylpropanoyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-bromo-4-[2-(dimethylamino)ethyl]-3-(2-methylpropanoyl)-1H-quinolin-2-one
PubChem CID162665582
Molecular FormulaC17H21BrN2O2
Molecular Weight365.27 g/mol
Exact Mass364.08
IUPAC Name7-bromo-4-[2-(dimethylamino)ethyl]-3-(2-methylpropanoyl)-1H-quinolin-2-one
SMILESCC(C)C(=O)c1c(CCN(C)C)c2ccc(Br)cc2[nH]c1=O
InChIInChI=1S/C17H21BrN2O2/c1-10(2)16(21)15-13(7-8-20(3)4)12-6-5-11(18)9-14(12)19-17(15)22/h5-6,9-10H,7-8H2,1-4H3,(H,19,22)
InChIKeyLFDIANQTSYBBFW-UHFFFAOYSA-N
XLogP3.23
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-[2-(dimethylamino)ethyl]-3-(2-methylpropanoyl)-1H-quinolin-2-one?
The IUPAC name of 7-bromo-4-[2-(dimethylamino)ethyl]-3-(2-methylpropanoyl)-1H-quinolin-2-one (CID 162665582) is 7-bromo-4-[2-(dimethylamino)ethyl]-3-(2-methylpropanoyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-bromo-4-[2-(dimethylamino)ethyl]-3-(2-methylpropanoyl)-1H-quinolin-2-one?
The canonical SMILES for 7-bromo-4-[2-(dimethylamino)ethyl]-3-(2-methylpropanoyl)-1H-quinolin-2-one is CC(C)C(=O)c1c(CCN(C)C)c2ccc(Br)cc2[nH]c1=O.
What is the InChIKey of 7-bromo-4-[2-(dimethylamino)ethyl]-3-(2-methylpropanoyl)-1H-quinolin-2-one?
The InChIKey is LFDIANQTSYBBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O2/c1-10(2)16(21)15-13(7-8-20(3)4)12-6-5-11(18)9-14(12)19-17(15)22/h5-6,9-10H,7-8H2,1-4H3,(H,19,22).
What are the key properties of 7-bromo-4-[2-(dimethylamino)ethyl]-3-(2-methylpropanoyl)-1H-quinolin-2-one?
7-bromo-4-[2-(dimethylamino)ethyl]-3-(2-methylpropanoyl)-1H-quinolin-2-one has a molecular weight of 365.27 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-[2-(dimethylamino)ethyl]-3-(2-methylpropanoyl)-1H-quinolin-2-one is sourced from PubChem (CID 162665582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).