3-(anilinomethyl)-6,7-dimethylchromen-4-one

C18H17NO2 — CID 170946555

IUPAC3-(anilinomethyl)-6,7-dimethylchromen-4-one
SMILESCc1cc2occ(CNc3ccccc3)c(=O)c2cc1C
InChIInChI=1S/C18H17NO2/c1-12-8-16-17(9-13(12)2)21-11-14(18(16)20)10-19-15-6-4-3-5-7-15/h3-9,11,19H,10H2,1-2H3
InChIKeyXGCVXSXSQFDCQJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.02
Rot. Bonds3

About 3-(anilinomethyl)-6,7-dimethylchromen-4-one

3-(anilinomethyl)-6,7-dimethylchromen-4-one (PubChem CID 170946555) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(anilinomethyl)-6,7-dimethylchromen-4-one.

Molecular Properties

Compound Name3-(anilinomethyl)-6,7-dimethylchromen-4-one
PubChem CID170946555
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name3-(anilinomethyl)-6,7-dimethylchromen-4-one
SMILESCc1cc2occ(CNc3ccccc3)c(=O)c2cc1C
InChIInChI=1S/C18H17NO2/c1-12-8-16-17(9-13(12)2)21-11-14(18(16)20)10-19-15-6-4-3-5-7-15/h3-9,11,19H,10H2,1-2H3
InChIKeyXGCVXSXSQFDCQJ-UHFFFAOYSA-N
XLogP4.02
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(anilinomethyl)-6,8-dichlorochromen-4-one
CID 170946544
3-[(3-hydroxy-4-methoxyanilino)methyl]chromen-4-one
CID 175346947
3-[[3-(trifluoromethyl)anilino]methyl]chromen-4-one
CID 175346949
N-benzhydryl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 7930956
N-(3-acetylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 7770634
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methylphenyl)acetamide
CID 7946686
3-[(4-ethoxyanilino)methyl]-7-hydroxychromen-4-one
CID 175346941
3-(1-benzofuran-3-ylmethylamino)benzoic acid
CID 80701632
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-phenylphenyl)acetamide
CID 16546100
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 16547774
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methoxyphenyl)acetamide
CID 17404145
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-quinolin-3-ylacetamide
CID 18146505

Frequently Asked Questions

What is the IUPAC name of 3-(anilinomethyl)-6,7-dimethylchromen-4-one?
The IUPAC name of 3-(anilinomethyl)-6,7-dimethylchromen-4-one (CID 170946555) is 3-(anilinomethyl)-6,7-dimethylchromen-4-one.
What is the SMILES notation for 3-(anilinomethyl)-6,7-dimethylchromen-4-one?
The canonical SMILES for 3-(anilinomethyl)-6,7-dimethylchromen-4-one is Cc1cc2occ(CNc3ccccc3)c(=O)c2cc1C.
What is the InChIKey of 3-(anilinomethyl)-6,7-dimethylchromen-4-one?
The InChIKey is XGCVXSXSQFDCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-12-8-16-17(9-13(12)2)21-11-14(18(16)20)10-19-15-6-4-3-5-7-15/h3-9,11,19H,10H2,1-2H3.
What are the key properties of 3-(anilinomethyl)-6,7-dimethylchromen-4-one?
3-(anilinomethyl)-6,7-dimethylchromen-4-one has a molecular weight of 279.34 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(anilinomethyl)-6,7-dimethylchromen-4-one is sourced from PubChem (CID 170946555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).