1-ethyl-6-nitroquinolin-2-one

C11H10N2O3 — CID 767348

IUPAC1-ethyl-6-nitroquinolin-2-one
SMILESCCn1c(=O)ccc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C11H10N2O3/c1-2-12-10-5-4-9(13(15)16)7-8(10)3-6-11(12)14/h3-7H,2H2,1H3
InChIKeyMQDFWIDPJVANIL-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.93
Rot. Bonds2

About 1-ethyl-6-nitroquinolin-2-one

1-ethyl-6-nitroquinolin-2-one (PubChem CID 767348) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 1-ethyl-6-nitroquinolin-2-one.

Molecular Properties

Compound Name1-ethyl-6-nitroquinolin-2-one
PubChem CID767348
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name1-ethyl-6-nitroquinolin-2-one
SMILESCCn1c(=O)ccc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C11H10N2O3/c1-2-12-10-5-4-9(13(15)16)7-8(10)3-6-11(12)14/h3-7H,2H2,1H3
InChIKeyMQDFWIDPJVANIL-UHFFFAOYSA-N
XLogP1.93
TPSA65.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.93
H-Bond Donors ≤ 50
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

Crotamiton
CID 2883
N-Ethyl-o-crotonotoluidide
CID 688020
1-Methyl-2-quinolone
CID 11820
Ethanone, 1-(2,3-dihydro-5-nitro-1H-indol-1-yl)-
CID 36566
4-Chloro-1-methyl-3-nitro-1,2-dihydroquinolin-2-one
CID 701939
1,4-Dimethyl-2-quinolone
CID 97252
6-Amino-1,3-dimethyl-1,2-dihydroquinolin-2-one
CID 83636605
Acetamide, N-ethyl-N-(4-nitrophenyl)-
CID 74583
4-(diethylamino)-1-methyl-3-nitroquinolin-2(1H)-one
CID 2863862
2-Butenamide, N-ethyl-N-(2-methylphenyl)-, (Z)-
CID 6604255
1-(3-Methyl-4-nitrophenyl)piperidine
CID 8146215
Acetamide, N-(2-methyl-4-nitrophenyl)-
CID 75936

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-nitroquinolin-2-one?
The IUPAC name of 1-ethyl-6-nitroquinolin-2-one (CID 767348) is 1-ethyl-6-nitroquinolin-2-one.
What is the SMILES notation for 1-ethyl-6-nitroquinolin-2-one?
The canonical SMILES for 1-ethyl-6-nitroquinolin-2-one is CCn1c(=O)ccc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 1-ethyl-6-nitroquinolin-2-one?
The InChIKey is MQDFWIDPJVANIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-2-12-10-5-4-9(13(15)16)7-8(10)3-6-11(12)14/h3-7H,2H2,1H3.
What are the key properties of 1-ethyl-6-nitroquinolin-2-one?
1-ethyl-6-nitroquinolin-2-one has a molecular weight of 218.21 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-nitroquinolin-2-one is sourced from PubChem (CID 767348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).