8-methoxy-2-(3-methylphenyl)iminochromene-3-carboxamide

C18H16N2O3 — CID 4038165

IUPAC8-methoxy-2-(3-methylphenyl)iminochromene-3-carboxamide
SMILESCOc1cccc2cc(C(N)=O)/c(=N/c3cccc(C)c3)oc12
InChIInChI=1S/C18H16N2O3/c1-11-5-3-7-13(9-11)20-18-14(17(19)21)10-12-6-4-8-15(22-2)16(12)23-18/h3-10H,1-2H3,(H2,19,21)/b20-18-
InChIKeyNQDITSYYLXNEFS-ZZEZOPTASA-N
MW308.34 g/mol
LogP3.08
Rot. Bonds3

About 8-methoxy-2-(3-methylphenyl)iminochromene-3-carboxamide

8-methoxy-2-(3-methylphenyl)iminochromene-3-carboxamide (PubChem CID 4038165) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 8-methoxy-2-(3-methylphenyl)iminochromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-2-(3-methylphenyl)iminochromene-3-carboxamide
PubChem CID4038165
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name8-methoxy-2-(3-methylphenyl)iminochromene-3-carboxamide
SMILESCOc1cccc2cc(C(N)=O)/c(=N/c3cccc(C)c3)oc12
InChIInChI=1S/C18H16N2O3/c1-11-5-3-7-13(9-11)20-18-14(17(19)21)10-12-6-4-8-15(22-2)16(12)23-18/h3-10H,1-2H3,(H2,19,21)/b20-18-
InChIKeyNQDITSYYLXNEFS-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

Analyze 8-methoxy-2-(3-methylphenyl)iminochromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-ethoxy-2-(3-methylphenyl)iminochromene-3-carboxamide
CID 4227887
methyl 3-[(3-carbamoyl-8-methoxychromen-2-ylidene)amino]benzoate
CID 51366960
2-(4-chlorophenyl)imino-8-methoxychromene-3-carboxamide
CID 51366970
2-(2,4-dimethoxyphenyl)imino-8-methoxychromene-3-carboxamide
CID 51370461
2-(3-fluoro-2-methylphenyl)imino-8-methoxychromene-3-carboxamide
CID 51366994
2-(4-chloro-2-methylphenyl)imino-8-methoxychromene-3-carboxamide
CID 51366983
6-bromo-2-(3-methylphenyl)iminochromene-3-carboxamide
CID 4012007
8-methoxy-2-(3-methylphenyl)imino-N-(4-phenyl-1,3-thiazol-2-yl)chromene-3-carboxamide
CID 3993915
8-methoxy-2-(3-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367581
6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide
CID 4555471
8-methoxy-N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
CID 51367608
2-(4-acetylphenyl)imino-8-ethoxychromene-3-carboxamide
CID 15991604

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-(3-methylphenyl)iminochromene-3-carboxamide?
The IUPAC name of 8-methoxy-2-(3-methylphenyl)iminochromene-3-carboxamide (CID 4038165) is 8-methoxy-2-(3-methylphenyl)iminochromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-2-(3-methylphenyl)iminochromene-3-carboxamide?
The canonical SMILES for 8-methoxy-2-(3-methylphenyl)iminochromene-3-carboxamide is COc1cccc2cc(C(N)=O)/c(=N/c3cccc(C)c3)oc12.
What is the InChIKey of 8-methoxy-2-(3-methylphenyl)iminochromene-3-carboxamide?
The InChIKey is NQDITSYYLXNEFS-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H16N2O3/c1-11-5-3-7-13(9-11)20-18-14(17(19)21)10-12-6-4-8-15(22-2)16(12)23-18/h3-10H,1-2H3,(H2,19,21)/b20-18-.
What are the key properties of 8-methoxy-2-(3-methylphenyl)iminochromene-3-carboxamide?
8-methoxy-2-(3-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 8-methoxy-2-(3-methylphenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 4038165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).