2-amino-6-bromo-3-(3,4-dimethoxyphenyl)chromen-4-one

C17H14BrNO4 — CID 12710979

IUPAC2-amino-6-bromo-3-(3,4-dimethoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2c(N)oc3ccc(Br)cc3c2=O)cc1OC
InChIInChI=1S/C17H14BrNO4/c1-21-13-5-3-9(7-14(13)22-2)15-16(20)11-8-10(18)4-6-12(11)23-17(15)19/h3-8H,19H2,1-2H3
InChIKeyNMOGVKNIEASKRC-UHFFFAOYSA-N
MW376.21 g/mol
LogP3.82
Rot. Bonds3

About 2-amino-6-bromo-3-(3,4-dimethoxyphenyl)chromen-4-one

2-amino-6-bromo-3-(3,4-dimethoxyphenyl)chromen-4-one (PubChem CID 12710979) has the molecular formula C17H14BrNO4 and a molecular weight of 376.21 g/mol. Its IUPAC name is 2-amino-6-bromo-3-(3,4-dimethoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name2-amino-6-bromo-3-(3,4-dimethoxyphenyl)chromen-4-one
PubChem CID12710979
Molecular FormulaC17H14BrNO4
Molecular Weight376.21 g/mol
Exact Mass375.01
IUPAC Name2-amino-6-bromo-3-(3,4-dimethoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2c(N)oc3ccc(Br)cc3c2=O)cc1OC
InChIInChI=1S/C17H14BrNO4/c1-21-13-5-3-9(7-14(13)22-2)15-16(20)11-8-10(18)4-6-12(11)23-17(15)19/h3-8H,19H2,1-2H3
InChIKeyNMOGVKNIEASKRC-UHFFFAOYSA-N
XLogP3.82
TPSA74.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one
CID 70689704
6-bromo-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-one
CID 20904266
4-(4-bromophenyl)-1,2-dimethoxybenzene
CID 83666365
2-(3,4-dimethoxyphenyl)-3-phenylchromen-4-one
CID 140540725
2-bromo-7-methylxanthen-9-one;ethane
CID 143958066
5-bromo-3-methoxy-1-benzofuran
CID 83823580
7-bromo-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)chromeno[2,3-d]pyrimidine-4,5-dione
CID 22695839
6-bromo-2-methoxychromen-4-one
CID 54016071
2-(3,4-dimethoxyphenyl)-6-(hydroxymethyl)-3-methoxychromen-4-one
CID 58427526
3-(3,4-dimethoxyphenyl)-8-hydroxy-2,6-dimethoxychromen-4-one
CID 163003822
N-[6-chloro-3-(3,4-dimethoxyphenyl)-4-oxochromen-2-yl]-4-fluorobenzamide
CID 4898865
3-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-one
CID 631176

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-bromo-3-(3,4-dimethoxyphenyl)chromen-4-one?
The IUPAC name of 2-amino-6-bromo-3-(3,4-dimethoxyphenyl)chromen-4-one (CID 12710979) is 2-amino-6-bromo-3-(3,4-dimethoxyphenyl)chromen-4-one.
What is the SMILES notation for 2-amino-6-bromo-3-(3,4-dimethoxyphenyl)chromen-4-one?
The canonical SMILES for 2-amino-6-bromo-3-(3,4-dimethoxyphenyl)chromen-4-one is COc1ccc(-c2c(N)oc3ccc(Br)cc3c2=O)cc1OC.
What is the InChIKey of 2-amino-6-bromo-3-(3,4-dimethoxyphenyl)chromen-4-one?
The InChIKey is NMOGVKNIEASKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO4/c1-21-13-5-3-9(7-14(13)22-2)15-16(20)11-8-10(18)4-6-12(11)23-17(15)19/h3-8H,19H2,1-2H3.
What are the key properties of 2-amino-6-bromo-3-(3,4-dimethoxyphenyl)chromen-4-one?
2-amino-6-bromo-3-(3,4-dimethoxyphenyl)chromen-4-one has a molecular weight of 376.21 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-bromo-3-(3,4-dimethoxyphenyl)chromen-4-one is sourced from PubChem (CID 12710979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).