2-(2,4-dimethoxyphenyl)imino-8-methoxychromene-3-carboxamide

C19H18N2O5 — CID 51370461

IUPAC2-(2,4-dimethoxyphenyl)imino-8-methoxychromene-3-carboxamide
SMILESCOc1ccc(/N=c2\oc3c(OC)cccc3cc2C(N)=O)c(OC)c1
InChIInChI=1S/C19H18N2O5/c1-23-12-7-8-14(16(10-12)25-3)21-19-13(18(20)22)9-11-5-4-6-15(24-2)17(11)26-19/h4-10H,1-3H3,(H2,20,22)/b21-19-
InChIKeySQYBTRUFXVZASA-VZCXRCSSSA-N
MW354.36 g/mol
LogP2.79
Rot. Bonds5

About 2-(2,4-dimethoxyphenyl)imino-8-methoxychromene-3-carboxamide

2-(2,4-dimethoxyphenyl)imino-8-methoxychromene-3-carboxamide (PubChem CID 51370461) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)imino-8-methoxychromene-3-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)imino-8-methoxychromene-3-carboxamide
PubChem CID51370461
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name2-(2,4-dimethoxyphenyl)imino-8-methoxychromene-3-carboxamide
SMILESCOc1ccc(/N=c2\oc3c(OC)cccc3cc2C(N)=O)c(OC)c1
InChIInChI=1S/C19H18N2O5/c1-23-12-7-8-14(16(10-12)25-3)21-19-13(18(20)22)9-11-5-4-6-15(24-2)17(11)26-19/h4-10H,1-3H3,(H2,20,22)/b21-19-
InChIKeySQYBTRUFXVZASA-VZCXRCSSSA-N
XLogP2.79
TPSA96.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)imino-8-methoxychromene-3-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)imino-8-methoxychromene-3-carboxamide (CID 51370461) is 2-(2,4-dimethoxyphenyl)imino-8-methoxychromene-3-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)imino-8-methoxychromene-3-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)imino-8-methoxychromene-3-carboxamide is COc1ccc(/N=c2\oc3c(OC)cccc3cc2C(N)=O)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)imino-8-methoxychromene-3-carboxamide?
The InChIKey is SQYBTRUFXVZASA-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-23-12-7-8-14(16(10-12)25-3)21-19-13(18(20)22)9-11-5-4-6-15(24-2)17(11)26-19/h4-10H,1-3H3,(H2,20,22)/b21-19-.
What are the key properties of 2-(2,4-dimethoxyphenyl)imino-8-methoxychromene-3-carboxamide?
2-(2,4-dimethoxyphenyl)imino-8-methoxychromene-3-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)imino-8-methoxychromene-3-carboxamide is sourced from PubChem (CID 51370461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).