4-(4-acetyl-1-methylpyrrol-2-yl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one

C18H21N3O2 — CID 170502916

IUPAC4-(4-acetyl-1-methylpyrrol-2-yl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(=O)c1cc(C2CC(=O)Nc3cc(N(C)C)ccc32)n(C)c1
InChIInChI=1S/C18H21N3O2/c1-11(22)12-7-17(21(4)10-12)15-9-18(23)19-16-8-13(20(2)3)5-6-14(15)16/h5-8,10,15H,9H2,1-4H3,(H,19,23)
InChIKeyWZCBJBYPKSOJJY-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.77
Rot. Bonds3

About 4-(4-acetyl-1-methylpyrrol-2-yl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one

4-(4-acetyl-1-methylpyrrol-2-yl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 170502916) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-(4-acetyl-1-methylpyrrol-2-yl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(4-acetyl-1-methylpyrrol-2-yl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one
PubChem CID170502916
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name4-(4-acetyl-1-methylpyrrol-2-yl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(=O)c1cc(C2CC(=O)Nc3cc(N(C)C)ccc32)n(C)c1
InChIInChI=1S/C18H21N3O2/c1-11(22)12-7-17(21(4)10-12)15-9-18(23)19-16-8-13(20(2)3)5-6-14(15)16/h5-8,10,15H,9H2,1-4H3,(H,19,23)
InChIKeyWZCBJBYPKSOJJY-UHFFFAOYSA-N
XLogP2.77
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetyl-1-methylpyrrol-2-yl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(4-acetyl-1-methylpyrrol-2-yl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one (CID 170502916) is 4-(4-acetyl-1-methylpyrrol-2-yl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(4-acetyl-1-methylpyrrol-2-yl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(4-acetyl-1-methylpyrrol-2-yl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one is CC(=O)c1cc(C2CC(=O)Nc3cc(N(C)C)ccc32)n(C)c1.
What is the InChIKey of 4-(4-acetyl-1-methylpyrrol-2-yl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WZCBJBYPKSOJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-11(22)12-7-17(21(4)10-12)15-9-18(23)19-16-8-13(20(2)3)5-6-14(15)16/h5-8,10,15H,9H2,1-4H3,(H,19,23).
What are the key properties of 4-(4-acetyl-1-methylpyrrol-2-yl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one?
4-(4-acetyl-1-methylpyrrol-2-yl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 311.39 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetyl-1-methylpyrrol-2-yl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 170502916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).