7-methyl-6-nitro-3,4-dihydro-1H-quinolin-2-one

C10H10N2O3 — CID 66881586

IUPAC7-methyl-6-nitro-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2
InChIInChI=1S/C10H10N2O3/c1-6-4-8-7(2-3-10(13)11-8)5-9(6)12(14)15/h4-5H,2-3H2,1H3,(H,11,13)
InChIKeyLKYCEGBMAQKXGR-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.79
Rot. Bonds1

About 7-methyl-6-nitro-3,4-dihydro-1H-quinolin-2-one

7-methyl-6-nitro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 66881586) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 7-methyl-6-nitro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-methyl-6-nitro-3,4-dihydro-1H-quinolin-2-one
PubChem CID66881586
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name7-methyl-6-nitro-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2
InChIInChI=1S/C10H10N2O3/c1-6-4-8-7(2-3-10(13)11-8)5-9(6)12(14)15/h4-5H,2-3H2,1H3,(H,11,13)
InChIKeyLKYCEGBMAQKXGR-UHFFFAOYSA-N
XLogP1.79
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

6-(ethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43449821
7-[(1-methylcyclobutyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 115765386
ethyl 3-(6-nitro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanoate
CID 2749821
7-[(2-hydroxy-2-methylpropyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 115618366
7-(but-3-en-2-ylamino)-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 115691982
7-(3-methylbutylamino)-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 115585332
7-(hexylamino)-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 115585335
3-[methyl-(6-nitro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]propanoic acid
CID 122059567
7-[methyl(1-methylsulfanylpropan-2-yl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 133311956
7-[(3-methylcyclopentyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 114547751
7-(4-methylsulfanylbutylamino)-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 115637374
6-(4-acetylpiperazin-1-yl)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 10947089

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-nitro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-methyl-6-nitro-3,4-dihydro-1H-quinolin-2-one (CID 66881586) is 7-methyl-6-nitro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-methyl-6-nitro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-methyl-6-nitro-3,4-dihydro-1H-quinolin-2-one is Cc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2.
What is the InChIKey of 7-methyl-6-nitro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is LKYCEGBMAQKXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-6-4-8-7(2-3-10(13)11-8)5-9(6)12(14)15/h4-5H,2-3H2,1H3,(H,11,13).
What are the key properties of 7-methyl-6-nitro-3,4-dihydro-1H-quinolin-2-one?
7-methyl-6-nitro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 206.20 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-nitro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 66881586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).