2-(2,5-dimethoxyphenyl)imino-7-hydroxychromene-3-carboxamide

C18H16N2O5 — CID 135449489

IUPAC2-(2,5-dimethoxyphenyl)imino-7-hydroxychromene-3-carboxamide
SMILESCOc1ccc(OC)c(/N=c2\oc3cc(O)ccc3cc2C(N)=O)c1
InChIInChI=1S/C18H16N2O5/c1-23-12-5-6-15(24-2)14(9-12)20-18-13(17(19)22)7-10-3-4-11(21)8-16(10)25-18/h3-9,21H,1-2H3,(H2,19,22)/b20-18-
InChIKeyKZEADLVWXDALNK-ZZEZOPTASA-N
MW340.34 g/mol
LogP2.49
Rot. Bonds4

About 2-(2,5-dimethoxyphenyl)imino-7-hydroxychromene-3-carboxamide

2-(2,5-dimethoxyphenyl)imino-7-hydroxychromene-3-carboxamide (PubChem CID 135449489) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)imino-7-hydroxychromene-3-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)imino-7-hydroxychromene-3-carboxamide
PubChem CID135449489
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name2-(2,5-dimethoxyphenyl)imino-7-hydroxychromene-3-carboxamide
SMILESCOc1ccc(OC)c(/N=c2\oc3cc(O)ccc3cc2C(N)=O)c1
InChIInChI=1S/C18H16N2O5/c1-23-12-5-6-15(24-2)14(9-12)20-18-13(17(19)22)7-10-3-4-11(21)8-16(10)25-18/h3-9,21H,1-2H3,(H2,19,22)/b20-18-
InChIKeyKZEADLVWXDALNK-ZZEZOPTASA-N
XLogP2.49
TPSA107.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)imino-7-hydroxychromene-3-carboxamide?
The IUPAC name of 2-(2,5-dimethoxyphenyl)imino-7-hydroxychromene-3-carboxamide (CID 135449489) is 2-(2,5-dimethoxyphenyl)imino-7-hydroxychromene-3-carboxamide.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)imino-7-hydroxychromene-3-carboxamide?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)imino-7-hydroxychromene-3-carboxamide is COc1ccc(OC)c(/N=c2\oc3cc(O)ccc3cc2C(N)=O)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)imino-7-hydroxychromene-3-carboxamide?
The InChIKey is KZEADLVWXDALNK-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H16N2O5/c1-23-12-5-6-15(24-2)14(9-12)20-18-13(17(19)22)7-10-3-4-11(21)8-16(10)25-18/h3-9,21H,1-2H3,(H2,19,22)/b20-18-.
What are the key properties of 2-(2,5-dimethoxyphenyl)imino-7-hydroxychromene-3-carboxamide?
2-(2,5-dimethoxyphenyl)imino-7-hydroxychromene-3-carboxamide has a molecular weight of 340.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)imino-7-hydroxychromene-3-carboxamide is sourced from PubChem (CID 135449489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).