1-ethyl-3-methoxy-7-nitro-4-pent-2-en-3-yloxyquinolin-2-one

C17H20N2O5 — CID 70248212

IUPAC1-ethyl-3-methoxy-7-nitro-4-pent-2-en-3-yloxyquinolin-2-one
SMILESCC=C(CC)Oc1c(OC)c(=O)n(CC)c2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C17H20N2O5/c1-5-12(6-2)24-15-13-9-8-11(19(21)22)10-14(13)18(7-3)17(20)16(15)23-4/h5,8-10H,6-7H2,1-4H3
InChIKeySVHKYOFLOPBEHA-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.63
Rot. Bonds6

About 1-ethyl-3-methoxy-7-nitro-4-pent-2-en-3-yloxyquinolin-2-one

1-ethyl-3-methoxy-7-nitro-4-pent-2-en-3-yloxyquinolin-2-one (PubChem CID 70248212) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1-ethyl-3-methoxy-7-nitro-4-pent-2-en-3-yloxyquinolin-2-one.

Molecular Properties

Compound Name1-ethyl-3-methoxy-7-nitro-4-pent-2-en-3-yloxyquinolin-2-one
PubChem CID70248212
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name1-ethyl-3-methoxy-7-nitro-4-pent-2-en-3-yloxyquinolin-2-one
SMILESCC=C(CC)Oc1c(OC)c(=O)n(CC)c2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C17H20N2O5/c1-5-12(6-2)24-15-13-9-8-11(19(21)22)10-14(13)18(7-3)17(20)16(15)23-4/h5,8-10H,6-7H2,1-4H3
InChIKeySVHKYOFLOPBEHA-UHFFFAOYSA-N
XLogP3.63
TPSA83.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-ethyl-3-methoxy-7-nitro-4-pent-2-en-3-yloxyquinolin-2-one with MolForge

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Related Compounds

1-ethyl-3,4-dimethoxy-7-nitroquinolin-2-one
CID 21217745
3-butoxy-1-butyl-7-nitro-4-pent-2-en-3-yloxyquinolin-2-one
CID 70250628
3-hexoxy-7-nitro-1-octyl-4-pent-2-en-3-yloxyquinolin-2-one
CID 70251846
1-hexyl-7-nitro-4-pent-2-en-3-yloxy-3-propan-2-yloxyquinolin-2-one
CID 70251863
1-hexyl-3-(2-methylpentoxy)-7-nitro-4-pent-2-en-3-yloxyquinolin-2-one
CID 70251200
4-hydroxy-1-(2-hydroxyethyl)-3-methoxy-7-nitroquinolin-2-one
CID 54716364
3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-1-octyl-4-pent-2-en-3-yloxyquinolin-2-one
CID 70248210
4-hexoxy-3-methoxy-7-nitro-1-octylquinolin-2-one
CID 23300246
3-butoxy-4-(3,7-dimethylocta-2,6-dienoxy)-1-ethyl-7-nitroquinolin-2-one
CID 54291038
7-amino-1-ethyl-3-(2-methylpentoxy)-4-pent-2-en-3-yloxyquinolin-2-one
CID 70252810
3-hydroxy-4-methoxy-1-methyl-7-nitroquinolin-2-one
CID 23300518
4-(3,7-dimethylocta-2,6-dienoxy)-1-ethyl-3-(2-methylpentoxy)-7-nitroquinolin-2-one
CID 54043247

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methoxy-7-nitro-4-pent-2-en-3-yloxyquinolin-2-one?
The IUPAC name of 1-ethyl-3-methoxy-7-nitro-4-pent-2-en-3-yloxyquinolin-2-one (CID 70248212) is 1-ethyl-3-methoxy-7-nitro-4-pent-2-en-3-yloxyquinolin-2-one.
What is the SMILES notation for 1-ethyl-3-methoxy-7-nitro-4-pent-2-en-3-yloxyquinolin-2-one?
The canonical SMILES for 1-ethyl-3-methoxy-7-nitro-4-pent-2-en-3-yloxyquinolin-2-one is CC=C(CC)Oc1c(OC)c(=O)n(CC)c2cc([N+](=O)[O-])ccc12.
What is the InChIKey of 1-ethyl-3-methoxy-7-nitro-4-pent-2-en-3-yloxyquinolin-2-one?
The InChIKey is SVHKYOFLOPBEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-5-12(6-2)24-15-13-9-8-11(19(21)22)10-14(13)18(7-3)17(20)16(15)23-4/h5,8-10H,6-7H2,1-4H3.
What are the key properties of 1-ethyl-3-methoxy-7-nitro-4-pent-2-en-3-yloxyquinolin-2-one?
1-ethyl-3-methoxy-7-nitro-4-pent-2-en-3-yloxyquinolin-2-one has a molecular weight of 332.36 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methoxy-7-nitro-4-pent-2-en-3-yloxyquinolin-2-one is sourced from PubChem (CID 70248212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).