N-(1,3-benzodioxol-5-yl)-6-methoxy-2-oxochromene-3-carboxamide

C18H13NO6 — CID 19207094

IUPACN-(1,3-benzodioxol-5-yl)-6-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1ccc2oc(=O)c(C(=O)Nc3ccc4c(c3)OCO4)cc2c1
InChIInChI=1S/C18H13NO6/c1-22-12-3-5-14-10(6-12)7-13(18(21)25-14)17(20)19-11-2-4-15-16(8-11)24-9-23-15/h2-8H,9H2,1H3,(H,19,20)
InChIKeySNBYCBWNRSTIDN-UHFFFAOYSA-N
MW339.30 g/mol
LogP2.78
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-6-methoxy-2-oxochromene-3-carboxamide

N-(1,3-benzodioxol-5-yl)-6-methoxy-2-oxochromene-3-carboxamide (PubChem CID 19207094) has the molecular formula C18H13NO6 and a molecular weight of 339.30 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-methoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6-methoxy-2-oxochromene-3-carboxamide
PubChem CID19207094
Molecular FormulaC18H13NO6
Molecular Weight339.30 g/mol
Exact Mass339.07
IUPAC NameN-(1,3-benzodioxol-5-yl)-6-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1ccc2oc(=O)c(C(=O)Nc3ccc4c(c3)OCO4)cc2c1
InChIInChI=1S/C18H13NO6/c1-22-12-3-5-14-10(6-12)7-13(18(21)25-14)17(20)19-11-2-4-15-16(8-11)24-9-23-15/h2-8H,9H2,1H3,(H,19,20)
InChIKeySNBYCBWNRSTIDN-UHFFFAOYSA-N
XLogP2.78
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(1,3-benzodioxol-5-yl)-6-methoxy-2-oxochromene-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-yl)-6-methyl-2-oxochromene-3-carboxamide
CID 100794451
6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide
CID 16645470
6-methoxy-2-oxo-N-pyridin-4-ylchromene-3-carboxamide
CID 3786468
6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxochromene-3-carboxamide
CID 100795033
N-(2,6-difluorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 4059771
propyl 4-[(6-methoxy-2-oxochromene-3-carbonyl)amino]benzoate
CID 19207105
N-(1,3-benzodioxol-5-yl)-6-methoxyquinoline-2-carboxamide
CID 33313694
N-(1,3-benzodioxol-5-yl)-8-methyl-2-oxochromene-3-carboxamide
CID 100794204
2-imino-6-methoxy-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 3245498
6-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxochromene-3-carboxamide
CID 19207124
N-(4-bromophenyl)-7-methoxy-2-oxochromene-3-carboxamide
CID 5262383
N-(2,5-dimethoxyphenyl)-6-methyl-2-oxochromene-3-carboxamide
CID 100794447

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-6-methoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-methoxy-2-oxochromene-3-carboxamide (CID 19207094) is N-(1,3-benzodioxol-5-yl)-6-methoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-methoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-methoxy-2-oxochromene-3-carboxamide is COc1ccc2oc(=O)c(C(=O)Nc3ccc4c(c3)OCO4)cc2c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-methoxy-2-oxochromene-3-carboxamide?
The InChIKey is SNBYCBWNRSTIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO6/c1-22-12-3-5-14-10(6-12)7-13(18(21)25-14)17(20)19-11-2-4-15-16(8-11)24-9-23-15/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-6-methoxy-2-oxochromene-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-6-methoxy-2-oxochromene-3-carboxamide has a molecular weight of 339.30 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-6-methoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 19207094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).