7-methoxy-2-(4-methylphenyl)iminochromene-3-carboxamide

C18H16N2O3 — CID 3419163

IUPAC7-methoxy-2-(4-methylphenyl)iminochromene-3-carboxamide
SMILESCOc1ccc2cc(C(N)=O)/c(=N/c3ccc(C)cc3)oc2c1
InChIInChI=1S/C18H16N2O3/c1-11-3-6-13(7-4-11)20-18-15(17(19)21)9-12-5-8-14(22-2)10-16(12)23-18/h3-10H,1-2H3,(H2,19,21)/b20-18-
InChIKeyKZGXMNHLQZSNPX-ZZEZOPTASA-N
MW308.34 g/mol
LogP3.08
Rot. Bonds3

About 7-methoxy-2-(4-methylphenyl)iminochromene-3-carboxamide

7-methoxy-2-(4-methylphenyl)iminochromene-3-carboxamide (PubChem CID 3419163) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 7-methoxy-2-(4-methylphenyl)iminochromene-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-2-(4-methylphenyl)iminochromene-3-carboxamide
PubChem CID3419163
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name7-methoxy-2-(4-methylphenyl)iminochromene-3-carboxamide
SMILESCOc1ccc2cc(C(N)=O)/c(=N/c3ccc(C)cc3)oc2c1
InChIInChI=1S/C18H16N2O3/c1-11-3-6-13(7-4-11)20-18-15(17(19)21)9-12-5-8-14(22-2)10-16(12)23-18/h3-10H,1-2H3,(H2,19,21)/b20-18-
InChIKeyKZGXMNHLQZSNPX-ZZEZOPTASA-N
XLogP3.08
TPSA77.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(4-methylphenyl)iminochromene-3-carboxamide?
The IUPAC name of 7-methoxy-2-(4-methylphenyl)iminochromene-3-carboxamide (CID 3419163) is 7-methoxy-2-(4-methylphenyl)iminochromene-3-carboxamide.
What is the SMILES notation for 7-methoxy-2-(4-methylphenyl)iminochromene-3-carboxamide?
The canonical SMILES for 7-methoxy-2-(4-methylphenyl)iminochromene-3-carboxamide is COc1ccc2cc(C(N)=O)/c(=N/c3ccc(C)cc3)oc2c1.
What is the InChIKey of 7-methoxy-2-(4-methylphenyl)iminochromene-3-carboxamide?
The InChIKey is KZGXMNHLQZSNPX-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H16N2O3/c1-11-3-6-13(7-4-11)20-18-15(17(19)21)9-12-5-8-14(22-2)10-16(12)23-18/h3-10H,1-2H3,(H2,19,21)/b20-18-.
What are the key properties of 7-methoxy-2-(4-methylphenyl)iminochromene-3-carboxamide?
7-methoxy-2-(4-methylphenyl)iminochromene-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(4-methylphenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 3419163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).