2-(1,3-benzoxazol-2-yl)-6-(dimethylamino)-1-ethylquinolin-4-one

C20H19N3O2 — CID 141105594

IUPAC2-(1,3-benzoxazol-2-yl)-6-(dimethylamino)-1-ethylquinolin-4-one
SMILESCCn1c(-c2nc3ccccc3o2)cc(=O)c2cc(N(C)C)ccc21
InChIInChI=1S/C20H19N3O2/c1-4-23-16-10-9-13(22(2)3)11-14(16)18(24)12-17(23)20-21-15-7-5-6-8-19(15)25-20/h5-12H,4H2,1-3H3
InChIKeyGEGJQUQMSQUMIA-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.90
Rot. Bonds3

About 2-(1,3-benzoxazol-2-yl)-6-(dimethylamino)-1-ethylquinolin-4-one

2-(1,3-benzoxazol-2-yl)-6-(dimethylamino)-1-ethylquinolin-4-one (PubChem CID 141105594) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-6-(dimethylamino)-1-ethylquinolin-4-one.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-6-(dimethylamino)-1-ethylquinolin-4-one
PubChem CID141105594
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-(1,3-benzoxazol-2-yl)-6-(dimethylamino)-1-ethylquinolin-4-one
SMILESCCn1c(-c2nc3ccccc3o2)cc(=O)c2cc(N(C)C)ccc21
InChIInChI=1S/C20H19N3O2/c1-4-23-16-10-9-13(22(2)3)11-14(16)18(24)12-17(23)20-21-15-7-5-6-8-19(15)25-20/h5-12H,4H2,1-3H3
InChIKeyGEGJQUQMSQUMIA-UHFFFAOYSA-N
XLogP3.90
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-N-phenylcarbazol-3-amine
CID 126585578
N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 59500988
4-(1,3-benzoxazol-2-yl)-N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenylaniline
CID 59500916
N-[9-(dimethylamino)-7-ethyl-5-oxobenzo[a]phenazin-1-yl]acetamide
CID 18730896
2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole
CID 155366285
3-(1,3-benzoxazol-2-yl)-7-[2-(dimethylamino)ethyl-methylamino]chromen-2-one
CID 71622685
2-[4-[3,6-di(quinolin-3-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 171851966
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]phenanthren-2-amine
CID 155402825
9-(1,3-benzoxazol-2-yl)-N,N-diphenyl-17-oxatricyclo[8.7.0.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-13-amine
CID 171755445
2-[5-(1,3-benzoxazol-2-yl)-2,4-dimethylphenyl]-1,3-benzoxazole
CID 102587552
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 155402925
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline
CID 59707538

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-6-(dimethylamino)-1-ethylquinolin-4-one?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-6-(dimethylamino)-1-ethylquinolin-4-one (CID 141105594) is 2-(1,3-benzoxazol-2-yl)-6-(dimethylamino)-1-ethylquinolin-4-one.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-6-(dimethylamino)-1-ethylquinolin-4-one?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-6-(dimethylamino)-1-ethylquinolin-4-one is CCn1c(-c2nc3ccccc3o2)cc(=O)c2cc(N(C)C)ccc21.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-6-(dimethylamino)-1-ethylquinolin-4-one?
The InChIKey is GEGJQUQMSQUMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-4-23-16-10-9-13(22(2)3)11-14(16)18(24)12-17(23)20-21-15-7-5-6-8-19(15)25-20/h5-12H,4H2,1-3H3.
What are the key properties of 2-(1,3-benzoxazol-2-yl)-6-(dimethylamino)-1-ethylquinolin-4-one?
2-(1,3-benzoxazol-2-yl)-6-(dimethylamino)-1-ethylquinolin-4-one has a molecular weight of 333.39 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yl)-6-(dimethylamino)-1-ethylquinolin-4-one is sourced from PubChem (CID 141105594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).