1-ethyl-3-nitro-4-(2-phenylethylamino)quinolin-2-one

C19H19N3O3 — CID 2919056

IUPAC1-ethyl-3-nitro-4-(2-phenylethylamino)quinolin-2-one
SMILESCCn1c(=O)c([N+](=O)[O-])c(NCCc2ccccc2)c2ccccc21
InChIInChI=1S/C19H19N3O3/c1-2-21-16-11-7-6-10-15(16)17(18(19(21)23)22(24)25)20-13-12-14-8-4-3-5-9-14/h3-11,20H,2,12-13H2,1H3
InChIKeyXLDLYOIHUDRJOB-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.58
Rot. Bonds6

About 1-ethyl-3-nitro-4-(2-phenylethylamino)quinolin-2-one

1-ethyl-3-nitro-4-(2-phenylethylamino)quinolin-2-one (PubChem CID 2919056) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-ethyl-3-nitro-4-(2-phenylethylamino)quinolin-2-one.

Molecular Properties

Compound Name1-ethyl-3-nitro-4-(2-phenylethylamino)quinolin-2-one
PubChem CID2919056
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name1-ethyl-3-nitro-4-(2-phenylethylamino)quinolin-2-one
SMILESCCn1c(=O)c([N+](=O)[O-])c(NCCc2ccccc2)c2ccccc21
InChIInChI=1S/C19H19N3O3/c1-2-21-16-11-7-6-10-15(16)17(18(19(21)23)22(24)25)20-13-12-14-8-4-3-5-9-14/h3-11,20H,2,12-13H2,1H3
InChIKeyXLDLYOIHUDRJOB-UHFFFAOYSA-N
XLogP3.58
TPSA77.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-Hydroxy-quinolin-4-ylmethyl)-N-phenyl-propionamide
CID 943545
2-[3,4-dihydro-1(2H)-quinolinyl]-N-(2-nitrophenyl)acetamide
CID 3512309
3-Nitro-1-phenyl-4-pyrrolidin-1-ylquinolin-2-one
CID 2879094
4-(diethylamino)-1-methyl-3-nitroquinolin-2(1H)-one
CID 2863862
4-(azepan-1-yl)-3-nitro-1-phenylquinolin-2(1H)-one
CID 2878744
2(1H)-Pyridinone, 5-ethyl-6-methyl-3-(((2-nitrophenyl)methyl)amino)-
CID 454351
4-azido-1-methyl-3-nitro-1H-quinolin-2-one
CID 387473
N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide
CID 122188235
N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]acetamide
CID 122188236
N-[[(2R)-1-benzyl-3,4-dihydro-2H-quinolin-2-yl]methyl]acetamide
CID 122188237
4-chloro-1-ethyl-3-nitroquinolin-2(1H)-one
CID 800048
N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 939075

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-nitro-4-(2-phenylethylamino)quinolin-2-one?
The IUPAC name of 1-ethyl-3-nitro-4-(2-phenylethylamino)quinolin-2-one (CID 2919056) is 1-ethyl-3-nitro-4-(2-phenylethylamino)quinolin-2-one.
What is the SMILES notation for 1-ethyl-3-nitro-4-(2-phenylethylamino)quinolin-2-one?
The canonical SMILES for 1-ethyl-3-nitro-4-(2-phenylethylamino)quinolin-2-one is CCn1c(=O)c([N+](=O)[O-])c(NCCc2ccccc2)c2ccccc21.
What is the InChIKey of 1-ethyl-3-nitro-4-(2-phenylethylamino)quinolin-2-one?
The InChIKey is XLDLYOIHUDRJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-2-21-16-11-7-6-10-15(16)17(18(19(21)23)22(24)25)20-13-12-14-8-4-3-5-9-14/h3-11,20H,2,12-13H2,1H3.
What are the key properties of 1-ethyl-3-nitro-4-(2-phenylethylamino)quinolin-2-one?
1-ethyl-3-nitro-4-(2-phenylethylamino)quinolin-2-one has a molecular weight of 337.38 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-nitro-4-(2-phenylethylamino)quinolin-2-one is sourced from PubChem (CID 2919056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).