1-methyl-6-(4-nitroanilino)-3,4-dihydroquinolin-2-one

C16H15N3O3 — CID 133453952

IUPAC1-methyl-6-(4-nitroanilino)-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(Nc3ccc([N+](=O)[O-])cc3)ccc21
InChIInChI=1S/C16H15N3O3/c1-18-15-8-5-13(10-11(15)2-9-16(18)20)17-12-3-6-14(7-4-12)19(21)22/h3-8,10,17H,2,9H2,1H3
InChIKeyCKGFWVJFPLBPOB-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.25
Rot. Bonds3

About 1-methyl-6-(4-nitroanilino)-3,4-dihydroquinolin-2-one

1-methyl-6-(4-nitroanilino)-3,4-dihydroquinolin-2-one (PubChem CID 133453952) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 1-methyl-6-(4-nitroanilino)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-(4-nitroanilino)-3,4-dihydroquinolin-2-one
PubChem CID133453952
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name1-methyl-6-(4-nitroanilino)-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(Nc3ccc([N+](=O)[O-])cc3)ccc21
InChIInChI=1S/C16H15N3O3/c1-18-15-8-5-13(10-11(15)2-9-16(18)20)17-12-3-6-14(7-4-12)19(21)22/h3-8,10,17H,2,9H2,1H3
InChIKeyCKGFWVJFPLBPOB-UHFFFAOYSA-N
XLogP3.25
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-ethyl-6-(4-nitroanilino)-3,4-dihydroquinolin-2-one
CID 133459327
1-methyl-6-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-3,4-dihydroquinolin-2-one
CID 167300242
1-methyl-6-[(6-nitro-2,3-dihydroindol-1-yl)sulfonyl]-3,4-dihydroquinolin-2-one
CID 110427320
6-[2-chloro-5-(4-iodopiperidin-1-yl)-4-nitroanilino]-1-methyl-3,4-dihydroquinolin-2-one
CID 156729374
1,6-dimethyl-3,4-dihydroquinolin-2-one
CID 20546933
6-[(2-cyclopropylpyrimidin-4-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one
CID 166204131
6-[(1-amino-2-methylpropan-2-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one
CID 115131631
1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylurea
CID 30376036
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)cyclohexanecarboxamide
CID 40829137
1-[[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]methyl]cyclobutane-1-carbonitrile
CID 115245023
6-(4-aminobutylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 115200987
1-(4-fluorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376046

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(4-nitroanilino)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-6-(4-nitroanilino)-3,4-dihydroquinolin-2-one (CID 133453952) is 1-methyl-6-(4-nitroanilino)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-6-(4-nitroanilino)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-6-(4-nitroanilino)-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(Nc3ccc([N+](=O)[O-])cc3)ccc21.
What is the InChIKey of 1-methyl-6-(4-nitroanilino)-3,4-dihydroquinolin-2-one?
The InChIKey is CKGFWVJFPLBPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-18-15-8-5-13(10-11(15)2-9-16(18)20)17-12-3-6-14(7-4-12)19(21)22/h3-8,10,17H,2,9H2,1H3.
What are the key properties of 1-methyl-6-(4-nitroanilino)-3,4-dihydroquinolin-2-one?
1-methyl-6-(4-nitroanilino)-3,4-dihydroquinolin-2-one has a molecular weight of 297.31 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(4-nitroanilino)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 133453952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).