methyl 2-[(6,7-dimethoxy-2H-chromene-3-carbonyl)amino]benzoate

C20H19NO6 — CID 139932860

IUPACmethyl 2-[(6,7-dimethoxy-2H-chromene-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1=Cc2cc(OC)c(OC)cc2OC1
InChIInChI=1S/C20H19NO6/c1-24-17-9-12-8-13(11-27-16(12)10-18(17)25-2)19(22)21-15-7-5-4-6-14(15)20(23)26-3/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyIYRKFXKEEKCHOH-UHFFFAOYSA-N
MW369.37 g/mol
LogP2.90
Rot. Bonds5

About methyl 2-[(6,7-dimethoxy-2H-chromene-3-carbonyl)amino]benzoate

methyl 2-[(6,7-dimethoxy-2H-chromene-3-carbonyl)amino]benzoate (PubChem CID 139932860) has the molecular formula C20H19NO6 and a molecular weight of 369.37 g/mol. Its IUPAC name is methyl 2-[(6,7-dimethoxy-2H-chromene-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(6,7-dimethoxy-2H-chromene-3-carbonyl)amino]benzoate
PubChem CID139932860
Molecular FormulaC20H19NO6
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Namemethyl 2-[(6,7-dimethoxy-2H-chromene-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1=Cc2cc(OC)c(OC)cc2OC1
InChIInChI=1S/C20H19NO6/c1-24-17-9-12-8-13(11-27-16(12)10-18(17)25-2)19(22)21-15-7-5-4-6-14(15)20(23)26-3/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyIYRKFXKEEKCHOH-UHFFFAOYSA-N
XLogP2.90
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(6,7-dimethoxy-2H-chromene-3-carbonyl)amino]benzoate 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

methyl 2-(2H-chromene-3-carbonylamino)benzoate
CID 7464984
methyl 2-[(6-methyl-2H-chromene-3-carbonyl)amino]benzoate
CID 139932854
methyl 2-[(6-tert-butyl-2H-chromene-3-carbonyl)amino]benzoate
CID 139932940
methyl 4-chloro-2-[(6-chloro-2H-chromene-3-carbonyl)amino]benzoate
CID 16652219
N-(2-methoxy-5-methylphenyl)-2H-chromene-3-carboxamide
CID 17416535
N-(5-acetamido-2-methoxyphenyl)-2H-chromene-3-carboxamide
CID 17418033
N-[3-[2-[di(propan-2-yl)amino]ethylcarbamoyl]phenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide
CID 139932924
5,6-dimethyl-1H-indene-2-carboxylic acid;methyl 2-[(5,6-dimethyl-1H-indene-2-carbonyl)amino]benzoate
CID 159094125
methyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate
CID 1226570
N-(2-ethoxyphenyl)-2H-chromene-3-carboxamide
CID 7464979
(6,7-dimethoxy-2H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 59838307
N-(3,4-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide
CID 46484911

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6,7-dimethoxy-2H-chromene-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(6,7-dimethoxy-2H-chromene-3-carbonyl)amino]benzoate (CID 139932860) is methyl 2-[(6,7-dimethoxy-2H-chromene-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(6,7-dimethoxy-2H-chromene-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(6,7-dimethoxy-2H-chromene-3-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)C1=Cc2cc(OC)c(OC)cc2OC1.
What is the InChIKey of methyl 2-[(6,7-dimethoxy-2H-chromene-3-carbonyl)amino]benzoate?
The InChIKey is IYRKFXKEEKCHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6/c1-24-17-9-12-8-13(11-27-16(12)10-18(17)25-2)19(22)21-15-7-5-4-6-14(15)20(23)26-3/h4-10H,11H2,1-3H3,(H,21,22).
What are the key properties of methyl 2-[(6,7-dimethoxy-2H-chromene-3-carbonyl)amino]benzoate?
methyl 2-[(6,7-dimethoxy-2H-chromene-3-carbonyl)amino]benzoate has a molecular weight of 369.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6,7-dimethoxy-2H-chromene-3-carbonyl)amino]benzoate is sourced from PubChem (CID 139932860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).