methyl 3-[(3-carbamoyl-8-methoxychromen-2-ylidene)amino]benzoate

C19H16N2O5 — CID 51366960

IUPACmethyl 3-[(3-carbamoyl-8-methoxychromen-2-ylidene)amino]benzoate
SMILESCOC(=O)c1cccc(/N=c2\oc3c(OC)cccc3cc2C(N)=O)c1
InChIInChI=1S/C19H16N2O5/c1-24-15-8-4-5-11-10-14(17(20)22)18(26-16(11)15)21-13-7-3-6-12(9-13)19(23)25-2/h3-10H,1-2H3,(H2,20,22)/b21-18-
InChIKeyVPYBKXZWTOSXHU-UZYVYHOESA-N
MW352.35 g/mol
LogP2.56
Rot. Bonds4

About methyl 3-[(3-carbamoyl-8-methoxychromen-2-ylidene)amino]benzoate

methyl 3-[(3-carbamoyl-8-methoxychromen-2-ylidene)amino]benzoate (PubChem CID 51366960) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is methyl 3-[(3-carbamoyl-8-methoxychromen-2-ylidene)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(3-carbamoyl-8-methoxychromen-2-ylidene)amino]benzoate
PubChem CID51366960
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Namemethyl 3-[(3-carbamoyl-8-methoxychromen-2-ylidene)amino]benzoate
SMILESCOC(=O)c1cccc(/N=c2\oc3c(OC)cccc3cc2C(N)=O)c1
InChIInChI=1S/C19H16N2O5/c1-24-15-8-4-5-11-10-14(17(20)22)18(26-16(11)15)21-13-7-3-6-12(9-13)19(23)25-2/h3-10H,1-2H3,(H2,20,22)/b21-18-
InChIKeyVPYBKXZWTOSXHU-UZYVYHOESA-N
XLogP2.56
TPSA104.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-methoxy-2-(3-methylphenyl)iminochromene-3-carboxamide
CID 4038165
2-(4-chlorophenyl)imino-8-methoxychromene-3-carboxamide
CID 51366970
methyl 3-[(3-carbamoyl-7-hydroxychromen-2-ylidene)amino]benzoate
CID 135631698
2-(2,4-dimethoxyphenyl)imino-8-methoxychromene-3-carboxamide
CID 51370461
2-[(3-chlorobenzoyl)hydrazinylidene]-8-methoxychromene-3-carboxamide
CID 39844710
2-(3-fluoro-2-methylphenyl)imino-8-methoxychromene-3-carboxamide
CID 51366994
8-ethoxy-2-(3-methylphenyl)iminochromene-3-carboxamide
CID 4227887
2-(4-chloro-2-methylphenyl)imino-8-methoxychromene-3-carboxamide
CID 51366983
2-(4-acetylphenyl)imino-8-ethoxychromene-3-carboxamide
CID 15991604
8-methoxy-2-(3-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367581
N-acetyl-2-(4-bromophenyl)imino-8-methoxychromene-3-carboxamide
CID 3885953
2-(3-acetylphenyl)imino-6-methoxychromene-3-carboxamide
CID 4987314

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-carbamoyl-8-methoxychromen-2-ylidene)amino]benzoate?
The IUPAC name of methyl 3-[(3-carbamoyl-8-methoxychromen-2-ylidene)amino]benzoate (CID 51366960) is methyl 3-[(3-carbamoyl-8-methoxychromen-2-ylidene)amino]benzoate.
What is the SMILES notation for methyl 3-[(3-carbamoyl-8-methoxychromen-2-ylidene)amino]benzoate?
The canonical SMILES for methyl 3-[(3-carbamoyl-8-methoxychromen-2-ylidene)amino]benzoate is COC(=O)c1cccc(/N=c2\oc3c(OC)cccc3cc2C(N)=O)c1.
What is the InChIKey of methyl 3-[(3-carbamoyl-8-methoxychromen-2-ylidene)amino]benzoate?
The InChIKey is VPYBKXZWTOSXHU-UZYVYHOESA-N. The full InChI is InChI=1S/C19H16N2O5/c1-24-15-8-4-5-11-10-14(17(20)22)18(26-16(11)15)21-13-7-3-6-12(9-13)19(23)25-2/h3-10H,1-2H3,(H2,20,22)/b21-18-.
What are the key properties of methyl 3-[(3-carbamoyl-8-methoxychromen-2-ylidene)amino]benzoate?
methyl 3-[(3-carbamoyl-8-methoxychromen-2-ylidene)amino]benzoate has a molecular weight of 352.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-carbamoyl-8-methoxychromen-2-ylidene)amino]benzoate is sourced from PubChem (CID 51366960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).