7-(diethylamino)-2-oxochromene-3-carbonyl iodide

C14H14INO3 — CID 163528355

IUPAC7-(diethylamino)-2-oxochromene-3-carbonyl iodide
SMILESCCN(CC)c1ccc2cc(C(=O)I)c(=O)oc2c1
InChIInChI=1S/C14H14INO3/c1-3-16(4-2)10-6-5-9-7-11(13(15)17)14(18)19-12(9)8-10/h5-8H,3-4H2,1-2H3
InChIKeyDQUKLFVPGGOKHB-UHFFFAOYSA-N
MW371.17 g/mol
LogP3.21
Rot. Bonds4

About 7-(diethylamino)-2-oxochromene-3-carbonyl iodide

7-(diethylamino)-2-oxochromene-3-carbonyl iodide (PubChem CID 163528355) has the molecular formula C14H14INO3 and a molecular weight of 371.17 g/mol. Its IUPAC name is 7-(diethylamino)-2-oxochromene-3-carbonyl iodide.

Molecular Properties

Compound Name7-(diethylamino)-2-oxochromene-3-carbonyl iodide
PubChem CID163528355
Molecular FormulaC14H14INO3
Molecular Weight371.17 g/mol
Exact Mass371.00
IUPAC Name7-(diethylamino)-2-oxochromene-3-carbonyl iodide
SMILESCCN(CC)c1ccc2cc(C(=O)I)c(=O)oc2c1
InChIInChI=1S/C14H14INO3/c1-3-16(4-2)10-6-5-9-7-11(13(15)17)14(18)19-12(9)8-10/h5-8H,3-4H2,1-2H3
InChIKeyDQUKLFVPGGOKHB-UHFFFAOYSA-N
XLogP3.21
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.17
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-(diethylamino)-2-oxochromene-3-carboxylic acid
CID 87060588
4-[7-(diethylamino)-2-oxochromene-3-carbonyl]benzoic acid
CID 23510542
7-(diethylamino)-N-(2-methoxyethyl)-N-methyl-2-oxochromene-3-carboxamide
CID 54453751
7-(diethylamino)-3-(imidazole-1-carbonyl)chromen-2-one
CID 5083976
7-(diethylamino)-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]chromene-3-carboxamide
CID 3231416
7-(diethylamino)-3-(dimethylamino)chromen-2-one
CID 71412900
[7-(diethylamino)-2-oxochromen-3-yl]methyl acetate;propane
CID 142122971
N-(4-cyanophenyl)-7-(diethylamino)-2-oxochromene-3-carboxamide
CID 5177672
4-[3-[7-(diethylamino)-2-oxochromen-3-yl]-3-oxoprop-1-enyl]benzoic acid
CID 78626318
7-(diethylamino)-3-(thiane-2-carbonyl)chromen-2-one
CID 139711899
7-(dipropylamino)-N,2-dioxochromene-3-carboxamide
CID 118983417
3-[3-(1-benzofuran-2-yl)prop-2-enoyl]-7-(diethylamino)chromen-2-one
CID 88769453

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-2-oxochromene-3-carbonyl iodide?
The IUPAC name of 7-(diethylamino)-2-oxochromene-3-carbonyl iodide (CID 163528355) is 7-(diethylamino)-2-oxochromene-3-carbonyl iodide.
What is the SMILES notation for 7-(diethylamino)-2-oxochromene-3-carbonyl iodide?
The canonical SMILES for 7-(diethylamino)-2-oxochromene-3-carbonyl iodide is CCN(CC)c1ccc2cc(C(=O)I)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-2-oxochromene-3-carbonyl iodide?
The InChIKey is DQUKLFVPGGOKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO3/c1-3-16(4-2)10-6-5-9-7-11(13(15)17)14(18)19-12(9)8-10/h5-8H,3-4H2,1-2H3.
What are the key properties of 7-(diethylamino)-2-oxochromene-3-carbonyl iodide?
7-(diethylamino)-2-oxochromene-3-carbonyl iodide has a molecular weight of 371.17 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-2-oxochromene-3-carbonyl iodide is sourced from PubChem (CID 163528355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).