6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide

C21H15NO4 — CID 16645470

IUPAC6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide
SMILESCOc1ccc2oc(=O)c(C(=O)Nc3ccc4ccccc4c3)cc2c1
InChIInChI=1S/C21H15NO4/c1-25-17-8-9-19-15(11-17)12-18(21(24)26-19)20(23)22-16-7-6-13-4-2-3-5-14(13)10-16/h2-12H,1H3,(H,22,23)
InChIKeyXIUNGCUUZGHXNW-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.21
Rot. Bonds3

About 6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide

6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide (PubChem CID 16645470) has the molecular formula C21H15NO4 and a molecular weight of 345.35 g/mol. Its IUPAC name is 6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide
PubChem CID16645470
Molecular FormulaC21H15NO4
Molecular Weight345.35 g/mol
Exact Mass345.10
IUPAC Name6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide
SMILESCOc1ccc2oc(=O)c(C(=O)Nc3ccc4ccccc4c3)cc2c1
InChIInChI=1S/C21H15NO4/c1-25-17-8-9-19-15(11-17)12-18(21(24)26-19)20(23)22-16-7-6-13-4-2-3-5-14(13)10-16/h2-12H,1H3,(H,22,23)
InChIKeyXIUNGCUUZGHXNW-UHFFFAOYSA-N
XLogP4.21
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-2-oxo-N-pyridin-4-ylchromene-3-carboxamide
CID 3786468
N-(1,3-benzodioxol-5-yl)-6-methoxy-2-oxochromene-3-carboxamide
CID 19207094
6-methoxy-2-oxo-N-(2-propan-2-ylphenyl)chromene-3-carboxamide
CID 19207085
N-(2,6-difluorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 4059771
N-(4-bromophenyl)-7-methoxy-2-oxochromene-3-carboxamide
CID 5262383
propyl 4-[(6-methoxy-2-oxochromene-3-carbonyl)amino]benzoate
CID 19207105
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide
CID 1034649
6-methoxy-N-[2-(4-methoxyanilino)-1-methyl-3H-1,3-thiazol-4-yl]-2-oxochromene-3-carboxamide
CID 21176519
6-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxochromene-3-carboxamide
CID 19207124
6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
CID 4913043
N-(2,5-dichlorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 1337843
2-imino-6-methoxy-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 3245498

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide?
The IUPAC name of 6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide (CID 16645470) is 6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide?
The canonical SMILES for 6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide is COc1ccc2oc(=O)c(C(=O)Nc3ccc4ccccc4c3)cc2c1.
What is the InChIKey of 6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide?
The InChIKey is XIUNGCUUZGHXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO4/c1-25-17-8-9-19-15(11-17)12-18(21(24)26-19)20(23)22-16-7-6-13-4-2-3-5-14(13)10-16/h2-12H,1H3,(H,22,23).
What are the key properties of 6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide?
6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide has a molecular weight of 345.35 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide is sourced from PubChem (CID 16645470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).