6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide

C18H16N2O4 — CID 4555471

IUPAC6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide
SMILESCOc1cccc(/N=c2\oc3ccc(OC)cc3cc2C(N)=O)c1
InChIInChI=1S/C18H16N2O4/c1-22-13-5-3-4-12(10-13)20-18-15(17(19)21)9-11-8-14(23-2)6-7-16(11)24-18/h3-10H,1-2H3,(H2,19,21)/b20-18-
InChIKeyLYSNMHZWSDBGHJ-ZZEZOPTASA-N
MW324.34 g/mol
LogP2.78
Rot. Bonds4

About 6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide

6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide (PubChem CID 4555471) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide
PubChem CID4555471
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide
SMILESCOc1cccc(/N=c2\oc3ccc(OC)cc3cc2C(N)=O)c1
InChIInChI=1S/C18H16N2O4/c1-22-13-5-3-4-12(10-13)20-18-15(17(19)21)9-11-8-14(23-2)6-7-16(11)24-18/h3-10H,1-2H3,(H2,19,21)/b20-18-
InChIKeyLYSNMHZWSDBGHJ-ZZEZOPTASA-N
XLogP2.78
TPSA87.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide?
The IUPAC name of 6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide (CID 4555471) is 6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide.
What is the SMILES notation for 6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide?
The canonical SMILES for 6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide is COc1cccc(/N=c2\oc3ccc(OC)cc3cc2C(N)=O)c1.
What is the InChIKey of 6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide?
The InChIKey is LYSNMHZWSDBGHJ-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H16N2O4/c1-22-13-5-3-4-12(10-13)20-18-15(17(19)21)9-11-8-14(23-2)6-7-16(11)24-18/h3-10H,1-2H3,(H2,19,21)/b20-18-.
What are the key properties of 6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide?
6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 4555471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).