7-(diethylamino)-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-2-oxochromene-3-carboxamide

C22H22N6O4 — CID 649996

IUPAC7-(diethylamino)-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-2-oxochromene-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(=O)Nc3ccc(-n4cnnn4)c(OC)c3)c(=O)oc2c1
InChIInChI=1S/C22H22N6O4/c1-4-27(5-2)16-8-6-14-10-17(22(30)32-19(14)12-16)21(29)24-15-7-9-18(20(11-15)31-3)28-13-23-25-26-28/h6-13H,4-5H2,1-3H3,(H,24,29)
InChIKeyJHOLBELJFICXLX-UHFFFAOYSA-N
MW434.46 g/mol
LogP2.88
Rot. Bonds7

About 7-(diethylamino)-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-2-oxochromene-3-carboxamide

7-(diethylamino)-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-2-oxochromene-3-carboxamide (PubChem CID 649996) has the molecular formula C22H22N6O4 and a molecular weight of 434.46 g/mol. Its IUPAC name is 7-(diethylamino)-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name7-(diethylamino)-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-2-oxochromene-3-carboxamide
PubChem CID649996
Molecular FormulaC22H22N6O4
Molecular Weight434.46 g/mol
Exact Mass434.17
IUPAC Name7-(diethylamino)-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-2-oxochromene-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(=O)Nc3ccc(-n4cnnn4)c(OC)c3)c(=O)oc2c1
InChIInChI=1S/C22H22N6O4/c1-4-27(5-2)16-8-6-14-10-17(22(30)32-19(14)12-16)21(29)24-15-7-9-18(20(11-15)31-3)28-13-23-25-26-28/h6-13H,4-5H2,1-3H3,(H,24,29)
InChIKeyJHOLBELJFICXLX-UHFFFAOYSA-N
XLogP2.88
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 46952127
3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one
CID 46958630
3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6-methyl-1H-quinolin-2-one
CID 46958631
3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-7-methyl-1H-quinolin-2-one
CID 118955638
N-(4-Ethyl-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 864037
[2-(2,5-Dimethoxyanilino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2571257
Methyl 4-{2-[3-(1H-1,2,3,4-tetrazol-1-YL)phenoxy]acetamido}benzoate
CID 11405500
7-(diethylamino)-N-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-2-oxochromene-3-carboxamide
CID 146431408
N-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 1442144
N-[(2-methoxyphenyl)methyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 2709066
7-(Diethylamino)-3-[5-(2,5-dimethoxyanilino)-1,3,4-oxadiazol-2-yl]chromen-2-one
CID 127050701
7-(diethylamino)-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-2-oxochromene-3-carboxamide
CID 164885975

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-2-oxochromene-3-carboxamide?
The IUPAC name of 7-(diethylamino)-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-2-oxochromene-3-carboxamide (CID 649996) is 7-(diethylamino)-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for 7-(diethylamino)-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for 7-(diethylamino)-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-2-oxochromene-3-carboxamide is CCN(CC)c1ccc2cc(C(=O)Nc3ccc(-n4cnnn4)c(OC)c3)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-2-oxochromene-3-carboxamide?
The InChIKey is JHOLBELJFICXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O4/c1-4-27(5-2)16-8-6-14-10-17(22(30)32-19(14)12-16)21(29)24-15-7-9-18(20(11-15)31-3)28-13-23-25-26-28/h6-13H,4-5H2,1-3H3,(H,24,29).
What are the key properties of 7-(diethylamino)-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-2-oxochromene-3-carboxamide?
7-(diethylamino)-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-2-oxochromene-3-carboxamide has a molecular weight of 434.46 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 649996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).