7-methoxy-4-oxo-3-phenyl-N-(2H-tetrazol-5-yl)chromene-2-carboxamide

C18H13N5O4 — CID 90673461

IUPAC7-methoxy-4-oxo-3-phenyl-N-(2H-tetrazol-5-yl)chromene-2-carboxamide
SMILESCOc1ccc2c(=O)c(-c3ccccc3)c(C(=O)Nc3nn[nH]n3)oc2c1
InChIInChI=1S/C18H13N5O4/c1-26-11-7-8-12-13(9-11)27-16(17(25)19-18-20-22-23-21-18)14(15(12)24)10-5-3-2-4-6-10/h2-9H,1H3,(H2,19,20,21,22,23,25)
InChIKeyIZIORGAXEPGWDY-UHFFFAOYSA-N
MW363.33 g/mol
LogP2.23
Rot. Bonds4

About 7-methoxy-4-oxo-3-phenyl-N-(2H-tetrazol-5-yl)chromene-2-carboxamide

7-methoxy-4-oxo-3-phenyl-N-(2H-tetrazol-5-yl)chromene-2-carboxamide (PubChem CID 90673461) has the molecular formula C18H13N5O4 and a molecular weight of 363.33 g/mol. Its IUPAC name is 7-methoxy-4-oxo-3-phenyl-N-(2H-tetrazol-5-yl)chromene-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-4-oxo-3-phenyl-N-(2H-tetrazol-5-yl)chromene-2-carboxamide
PubChem CID90673461
Molecular FormulaC18H13N5O4
Molecular Weight363.33 g/mol
Exact Mass363.10
IUPAC Name7-methoxy-4-oxo-3-phenyl-N-(2H-tetrazol-5-yl)chromene-2-carboxamide
SMILESCOc1ccc2c(=O)c(-c3ccccc3)c(C(=O)Nc3nn[nH]n3)oc2c1
InChIInChI=1S/C18H13N5O4/c1-26-11-7-8-12-13(9-11)27-16(17(25)19-18-20-22-23-21-18)14(15(12)24)10-5-3-2-4-6-10/h2-9H,1H3,(H2,19,20,21,22,23,25)
InChIKeyIZIORGAXEPGWDY-UHFFFAOYSA-N
XLogP2.23
TPSA123.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-methoxy-4-oxo-3-phenyl-N-(2H-tetrazol-5-yl)chromene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-oxo-3-phenyl-N-(2H-tetrazol-5-yl)chromene-2-carboxamide?
The IUPAC name of 7-methoxy-4-oxo-3-phenyl-N-(2H-tetrazol-5-yl)chromene-2-carboxamide (CID 90673461) is 7-methoxy-4-oxo-3-phenyl-N-(2H-tetrazol-5-yl)chromene-2-carboxamide.
What is the SMILES notation for 7-methoxy-4-oxo-3-phenyl-N-(2H-tetrazol-5-yl)chromene-2-carboxamide?
The canonical SMILES for 7-methoxy-4-oxo-3-phenyl-N-(2H-tetrazol-5-yl)chromene-2-carboxamide is COc1ccc2c(=O)c(-c3ccccc3)c(C(=O)Nc3nn[nH]n3)oc2c1.
What is the InChIKey of 7-methoxy-4-oxo-3-phenyl-N-(2H-tetrazol-5-yl)chromene-2-carboxamide?
The InChIKey is IZIORGAXEPGWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O4/c1-26-11-7-8-12-13(9-11)27-16(17(25)19-18-20-22-23-21-18)14(15(12)24)10-5-3-2-4-6-10/h2-9H,1H3,(H2,19,20,21,22,23,25).
What are the key properties of 7-methoxy-4-oxo-3-phenyl-N-(2H-tetrazol-5-yl)chromene-2-carboxamide?
7-methoxy-4-oxo-3-phenyl-N-(2H-tetrazol-5-yl)chromene-2-carboxamide has a molecular weight of 363.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-oxo-3-phenyl-N-(2H-tetrazol-5-yl)chromene-2-carboxamide is sourced from PubChem (CID 90673461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).