6-amino-5-(benzylamino)-2-(4-methoxyphenyl)chromen-4-one

C23H20N2O3 — CID 121366119

IUPAC6-amino-5-(benzylamino)-2-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3c(NCc4ccccc4)c(N)ccc3o2)cc1
InChIInChI=1S/C23H20N2O3/c1-27-17-9-7-16(8-10-17)21-13-19(26)22-20(28-21)12-11-18(24)23(22)25-14-15-5-3-2-4-6-15/h2-13,25H,14,24H2,1H3
InChIKeyCLRCOARTKLKKCC-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.66
Rot. Bonds5

About 6-amino-5-(benzylamino)-2-(4-methoxyphenyl)chromen-4-one

6-amino-5-(benzylamino)-2-(4-methoxyphenyl)chromen-4-one (PubChem CID 121366119) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 6-amino-5-(benzylamino)-2-(4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name6-amino-5-(benzylamino)-2-(4-methoxyphenyl)chromen-4-one
PubChem CID121366119
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name6-amino-5-(benzylamino)-2-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3c(NCc4ccccc4)c(N)ccc3o2)cc1
InChIInChI=1S/C23H20N2O3/c1-27-17-9-7-16(8-10-17)21-13-19(26)22-20(28-21)12-11-18(24)23(22)25-14-15-5-3-2-4-6-15/h2-13,25H,14,24H2,1H3
InChIKeyCLRCOARTKLKKCC-UHFFFAOYSA-N
XLogP4.66
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[[benzyl(methyl)amino]methyl]-6-hydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 1426435
N-benzyl-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 46173648
2-(4-methoxyphenyl)-5-phenyl-1-benzofuran
CID 66549379
6-methoxy-2-phenylchromen-4-one;hydrate
CID 174958280
2-(4-chlorophenyl)-7-methoxy-5-phenylmethoxychromen-4-one
CID 141293952
2-(6-methoxynaphthalen-2-yl)chromen-4-one
CID 132606136
O-[4-(5,6-dimethoxy-4-oxo-7-phenylmethoxychromen-2-yl)phenyl] methanethioate
CID 19358648
7-(4-methoxyanilino)-2-phenylchromen-4-one
CID 122366467
2-(2-amino-5-methoxyphenyl)chromen-4-one
CID 155414539
5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 11180247
2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxychromen-4-one
CID 44583449
2-(4-methoxyphenyl)-1-benzofuran
CID 10727834

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(benzylamino)-2-(4-methoxyphenyl)chromen-4-one?
The IUPAC name of 6-amino-5-(benzylamino)-2-(4-methoxyphenyl)chromen-4-one (CID 121366119) is 6-amino-5-(benzylamino)-2-(4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 6-amino-5-(benzylamino)-2-(4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 6-amino-5-(benzylamino)-2-(4-methoxyphenyl)chromen-4-one is COc1ccc(-c2cc(=O)c3c(NCc4ccccc4)c(N)ccc3o2)cc1.
What is the InChIKey of 6-amino-5-(benzylamino)-2-(4-methoxyphenyl)chromen-4-one?
The InChIKey is CLRCOARTKLKKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-27-17-9-7-16(8-10-17)21-13-19(26)22-20(28-21)12-11-18(24)23(22)25-14-15-5-3-2-4-6-15/h2-13,25H,14,24H2,1H3.
What are the key properties of 6-amino-5-(benzylamino)-2-(4-methoxyphenyl)chromen-4-one?
6-amino-5-(benzylamino)-2-(4-methoxyphenyl)chromen-4-one has a molecular weight of 372.42 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(benzylamino)-2-(4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 121366119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).