7-(diethylamino)-3-(imidazole-1-carbonyl)chromen-2-one

C17H17N3O3 — CID 5083976

IUPAC7-(diethylamino)-3-(imidazole-1-carbonyl)chromen-2-one
SMILESCCN(CC)c1ccc2cc(C(=O)n3ccnc3)c(=O)oc2c1
InChIInChI=1S/C17H17N3O3/c1-3-19(4-2)13-6-5-12-9-14(17(22)23-15(12)10-13)16(21)20-8-7-18-11-20/h5-11H,3-4H2,1-2H3
InChIKeyHFXKNJHVXQURHV-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.52
Rot. Bonds4

About 7-(diethylamino)-3-(imidazole-1-carbonyl)chromen-2-one

7-(diethylamino)-3-(imidazole-1-carbonyl)chromen-2-one (PubChem CID 5083976) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 7-(diethylamino)-3-(imidazole-1-carbonyl)chromen-2-one.

Molecular Properties

Compound Name7-(diethylamino)-3-(imidazole-1-carbonyl)chromen-2-one
PubChem CID5083976
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name7-(diethylamino)-3-(imidazole-1-carbonyl)chromen-2-one
SMILESCCN(CC)c1ccc2cc(C(=O)n3ccnc3)c(=O)oc2c1
InChIInChI=1S/C17H17N3O3/c1-3-19(4-2)13-6-5-12-9-14(17(22)23-15(12)10-13)16(21)20-8-7-18-11-20/h5-11H,3-4H2,1-2H3
InChIKeyHFXKNJHVXQURHV-UHFFFAOYSA-N
XLogP2.52
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-3-(imidazole-1-carbonyl)chromen-2-one?
The IUPAC name of 7-(diethylamino)-3-(imidazole-1-carbonyl)chromen-2-one (CID 5083976) is 7-(diethylamino)-3-(imidazole-1-carbonyl)chromen-2-one.
What is the SMILES notation for 7-(diethylamino)-3-(imidazole-1-carbonyl)chromen-2-one?
The canonical SMILES for 7-(diethylamino)-3-(imidazole-1-carbonyl)chromen-2-one is CCN(CC)c1ccc2cc(C(=O)n3ccnc3)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-3-(imidazole-1-carbonyl)chromen-2-one?
The InChIKey is HFXKNJHVXQURHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-3-19(4-2)13-6-5-12-9-14(17(22)23-15(12)10-13)16(21)20-8-7-18-11-20/h5-11H,3-4H2,1-2H3.
What are the key properties of 7-(diethylamino)-3-(imidazole-1-carbonyl)chromen-2-one?
7-(diethylamino)-3-(imidazole-1-carbonyl)chromen-2-one has a molecular weight of 311.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-3-(imidazole-1-carbonyl)chromen-2-one is sourced from PubChem (CID 5083976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).