N-(4-methyl-2-oxochromen-7-yl)quinoxaline-6-carboxamide

C19H13N3O3 — CID 134142292

IUPACN-(4-methyl-2-oxochromen-7-yl)quinoxaline-6-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)c3ccc4nccnc4c3)ccc12
InChIInChI=1S/C19H13N3O3/c1-11-8-18(23)25-17-10-13(3-4-14(11)17)22-19(24)12-2-5-15-16(9-12)21-7-6-20-15/h2-10H,1H3,(H,22,24)
InChIKeyPEHJTVKZQMMNLF-UHFFFAOYSA-N
MW331.33 g/mol
LogP3.30
Rot. Bonds2

About N-(4-methyl-2-oxochromen-7-yl)quinoxaline-6-carboxamide

N-(4-methyl-2-oxochromen-7-yl)quinoxaline-6-carboxamide (PubChem CID 134142292) has the molecular formula C19H13N3O3 and a molecular weight of 331.33 g/mol. Its IUPAC name is N-(4-methyl-2-oxochromen-7-yl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxochromen-7-yl)quinoxaline-6-carboxamide
PubChem CID134142292
Molecular FormulaC19H13N3O3
Molecular Weight331.33 g/mol
Exact Mass331.10
IUPAC NameN-(4-methyl-2-oxochromen-7-yl)quinoxaline-6-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)c3ccc4nccnc4c3)ccc12
InChIInChI=1S/C19H13N3O3/c1-11-8-18(23)25-17-10-13(3-4-14(11)17)22-19(24)12-2-5-15-16(9-12)21-7-6-20-15/h2-10H,1H3,(H,22,24)
InChIKeyPEHJTVKZQMMNLF-UHFFFAOYSA-N
XLogP3.30
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxochromen-7-yl)quinoxaline-6-carboxamide?
The IUPAC name of N-(4-methyl-2-oxochromen-7-yl)quinoxaline-6-carboxamide (CID 134142292) is N-(4-methyl-2-oxochromen-7-yl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(4-methyl-2-oxochromen-7-yl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(4-methyl-2-oxochromen-7-yl)quinoxaline-6-carboxamide is Cc1cc(=O)oc2cc(NC(=O)c3ccc4nccnc4c3)ccc12.
What is the InChIKey of N-(4-methyl-2-oxochromen-7-yl)quinoxaline-6-carboxamide?
The InChIKey is PEHJTVKZQMMNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3/c1-11-8-18(23)25-17-10-13(3-4-14(11)17)22-19(24)12-2-5-15-16(9-12)21-7-6-20-15/h2-10H,1H3,(H,22,24).
What are the key properties of N-(4-methyl-2-oxochromen-7-yl)quinoxaline-6-carboxamide?
N-(4-methyl-2-oxochromen-7-yl)quinoxaline-6-carboxamide has a molecular weight of 331.33 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxochromen-7-yl)quinoxaline-6-carboxamide is sourced from PubChem (CID 134142292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).