4-(diethylamino)-1-methyl-3-nitroquinolin-2-one

C14H17N3O3 — CID 2863862

IUPAC4-(diethylamino)-1-methyl-3-nitroquinolin-2-one
SMILESCCN(CC)c1c([N+](=O)[O-])c(=O)n(C)c2ccccc12
InChIInChI=1S/C14H17N3O3/c1-4-16(5-2)12-10-8-6-7-9-11(10)15(3)14(18)13(12)17(19)20/h6-9H,4-5H2,1-3H3
InChIKeyFPNBOZWNRHNYTA-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.29
Rot. Bonds4

About 4-(diethylamino)-1-methyl-3-nitroquinolin-2-one

4-(diethylamino)-1-methyl-3-nitroquinolin-2-one (PubChem CID 2863862) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-(diethylamino)-1-methyl-3-nitroquinolin-2-one.

Molecular Properties

Compound Name4-(diethylamino)-1-methyl-3-nitroquinolin-2-one
PubChem CID2863862
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-(diethylamino)-1-methyl-3-nitroquinolin-2-one
SMILESCCN(CC)c1c([N+](=O)[O-])c(=O)n(C)c2ccccc12
InChIInChI=1S/C14H17N3O3/c1-4-16(5-2)12-10-8-6-7-9-11(10)15(3)14(18)13(12)17(19)20/h6-9H,4-5H2,1-3H3
InChIKeyFPNBOZWNRHNYTA-UHFFFAOYSA-N
XLogP2.29
TPSA68.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.29
H-Bond Donors ≤ 50
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

Crotamiton
CID 2883
N-Ethyl-o-crotonotoluidide
CID 688020
1-Methyl-2-quinolone
CID 11820
4-Chloro-1-methyl-3-nitro-1,2-dihydroquinolin-2-one
CID 701939
1,4-Dimethyl-2-quinolone
CID 97252
3-Nitro-1-phenyl-4-pyrrolidin-1-ylquinolin-2-one
CID 2879094
1-ethyl-6-nitroquinolin-2(1H)-one
CID 767348
2-Butenamide, N-ethyl-N-(2-methylphenyl)-, (Z)-
CID 6604255
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
4-chloro-1-ethyl-3-nitroquinolin-2(1H)-one
CID 800048

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-1-methyl-3-nitroquinolin-2-one?
The IUPAC name of 4-(diethylamino)-1-methyl-3-nitroquinolin-2-one (CID 2863862) is 4-(diethylamino)-1-methyl-3-nitroquinolin-2-one.
What is the SMILES notation for 4-(diethylamino)-1-methyl-3-nitroquinolin-2-one?
The canonical SMILES for 4-(diethylamino)-1-methyl-3-nitroquinolin-2-one is CCN(CC)c1c([N+](=O)[O-])c(=O)n(C)c2ccccc12.
What is the InChIKey of 4-(diethylamino)-1-methyl-3-nitroquinolin-2-one?
The InChIKey is FPNBOZWNRHNYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-4-16(5-2)12-10-8-6-7-9-11(10)15(3)14(18)13(12)17(19)20/h6-9H,4-5H2,1-3H3.
What are the key properties of 4-(diethylamino)-1-methyl-3-nitroquinolin-2-one?
4-(diethylamino)-1-methyl-3-nitroquinolin-2-one has a molecular weight of 275.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-1-methyl-3-nitroquinolin-2-one is sourced from PubChem (CID 2863862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).