N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzamide

C19H17N3O5 — CID 5050311

IUPACN-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzamide
SMILESCOc1ccc2cc(CCNC(=O)c3cccc([N+](=O)[O-])c3)c(=O)[nH]c2c1
InChIInChI=1S/C19H17N3O5/c1-27-16-6-5-12-9-14(19(24)21-17(12)11-16)7-8-20-18(23)13-3-2-4-15(10-13)22(25)26/h2-6,9-11H,7-8H2,1H3,(H,20,23)(H,21,24)
InChIKeyVYZJMZNQVCMGBS-UHFFFAOYSA-N
MW367.36 g/mol
LogP2.42
Rot. Bonds6

About N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzamide

N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzamide (PubChem CID 5050311) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzamide
PubChem CID5050311
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC NameN-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzamide
SMILESCOc1ccc2cc(CCNC(=O)c3cccc([N+](=O)[O-])c3)c(=O)[nH]c2c1
InChIInChI=1S/C19H17N3O5/c1-27-16-6-5-12-9-14(19(24)21-17(12)11-16)7-8-20-18(23)13-3-2-4-15(10-13)22(25)26/h2-6,9-11H,7-8H2,1H3,(H,20,23)(H,21,24)
InChIKeyVYZJMZNQVCMGBS-UHFFFAOYSA-N
XLogP2.42
TPSA114.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
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

2-chloro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-nitrobenzamide
CID 7136772
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-nitro-N-propylbenzamide
CID 4020279
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110609180
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 4258688
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110326009
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzamide
CID 4257940
2-chloro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 7136774
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methyl-3-nitrobenzamide
CID 1422756
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methoxybenzamide
CID 16814032
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-nitrobenzenesulfonamide
CID 110324856
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-propylpentanamide
CID 4079737
N-(4-methoxyphenyl)-3-nitro-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1312261

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzamide?
The IUPAC name of N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzamide (CID 5050311) is N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzamide.
What is the SMILES notation for N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzamide?
The canonical SMILES for N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzamide is COc1ccc2cc(CCNC(=O)c3cccc([N+](=O)[O-])c3)c(=O)[nH]c2c1.
What is the InChIKey of N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzamide?
The InChIKey is VYZJMZNQVCMGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5/c1-27-16-6-5-12-9-14(19(24)21-17(12)11-16)7-8-20-18(23)13-3-2-4-15(10-13)22(25)26/h2-6,9-11H,7-8H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzamide?
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzamide has a molecular weight of 367.36 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzamide is sourced from PubChem (CID 5050311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).