7-(diethylamino)-N-[2-(2-ethyltetrazol-5-yl)phenyl]-2-oxochromene-3-carboxamide

C23H24N6O3 — CID 3862634

IUPAC7-(diethylamino)-N-[2-(2-ethyltetrazol-5-yl)phenyl]-2-oxochromene-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(=O)Nc3ccccc3-c3nnn(CC)n3)c(=O)oc2c1
InChIInChI=1S/C23H24N6O3/c1-4-28(5-2)16-12-11-15-13-18(23(31)32-20(15)14-16)22(30)24-19-10-8-7-9-17(19)21-25-27-29(6-3)26-21/h7-14H,4-6H2,1-3H3,(H,24,30)
InChIKeyRWGCLAGPDTXMPK-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.56
Rot. Bonds7

About 7-(diethylamino)-N-[2-(2-ethyltetrazol-5-yl)phenyl]-2-oxochromene-3-carboxamide

7-(diethylamino)-N-[2-(2-ethyltetrazol-5-yl)phenyl]-2-oxochromene-3-carboxamide (PubChem CID 3862634) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 7-(diethylamino)-N-[2-(2-ethyltetrazol-5-yl)phenyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name7-(diethylamino)-N-[2-(2-ethyltetrazol-5-yl)phenyl]-2-oxochromene-3-carboxamide
PubChem CID3862634
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name7-(diethylamino)-N-[2-(2-ethyltetrazol-5-yl)phenyl]-2-oxochromene-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(=O)Nc3ccccc3-c3nnn(CC)n3)c(=O)oc2c1
InChIInChI=1S/C23H24N6O3/c1-4-28(5-2)16-12-11-15-13-18(23(31)32-20(15)14-16)22(30)24-19-10-8-7-9-17(19)21-25-27-29(6-3)26-21/h7-14H,4-6H2,1-3H3,(H,24,30)
InChIKeyRWGCLAGPDTXMPK-UHFFFAOYSA-N
XLogP3.56
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

7-(diethylamino)-N-(2-ethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1152097
7-(diethylamino)-2-oxochromene-3-carboxylic acid
CID 87060588
N-(4-cyanophenyl)-7-(diethylamino)-2-oxochromene-3-carboxamide
CID 5177672
N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide
CID 694759
copper;7-(diethylamino)-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
CID 159081950
7-(diethylamino)-2-oxochromene-3-carbonyl iodide
CID 163528355
N-[(Z)-1-[7-(diethylamino)-2-oxochromen-3-yl]ethylideneamino]benzamide
CID 5452614
7-(diethylamino)-2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide
CID 2968471
7-(diethylamino)-N-[(Z)-2-(2,5-dioxopyrrolidin-1-yl)ethenyl]-2-oxochromene-3-carboxamide
CID 5288792
4-[7-(diethylamino)-2-oxochromene-3-carbonyl]benzoic acid
CID 23510542
deuterium monohydride;7-(diethylamino)-2-oxochromene-3-carboxylic acid;7-(diethylamino)-2-oxo-N-(3-triethoxysilylpropyl)chromene-3-carboxamide
CID 162027729
7-(diethylamino)-3-(imidazole-1-carbonyl)chromen-2-one
CID 5083976

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-N-[2-(2-ethyltetrazol-5-yl)phenyl]-2-oxochromene-3-carboxamide?
The IUPAC name of 7-(diethylamino)-N-[2-(2-ethyltetrazol-5-yl)phenyl]-2-oxochromene-3-carboxamide (CID 3862634) is 7-(diethylamino)-N-[2-(2-ethyltetrazol-5-yl)phenyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for 7-(diethylamino)-N-[2-(2-ethyltetrazol-5-yl)phenyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for 7-(diethylamino)-N-[2-(2-ethyltetrazol-5-yl)phenyl]-2-oxochromene-3-carboxamide is CCN(CC)c1ccc2cc(C(=O)Nc3ccccc3-c3nnn(CC)n3)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-N-[2-(2-ethyltetrazol-5-yl)phenyl]-2-oxochromene-3-carboxamide?
The InChIKey is RWGCLAGPDTXMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-4-28(5-2)16-12-11-15-13-18(23(31)32-20(15)14-16)22(30)24-19-10-8-7-9-17(19)21-25-27-29(6-3)26-21/h7-14H,4-6H2,1-3H3,(H,24,30).
What are the key properties of 7-(diethylamino)-N-[2-(2-ethyltetrazol-5-yl)phenyl]-2-oxochromene-3-carboxamide?
7-(diethylamino)-N-[2-(2-ethyltetrazol-5-yl)phenyl]-2-oxochromene-3-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-N-[2-(2-ethyltetrazol-5-yl)phenyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 3862634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).