2-[4-(dimethylamino)phenyl]-7,8-dimethoxychromen-4-one;hydrobromide

C19H20BrNO4 — CID 66521679

IUPAC2-[4-(dimethylamino)phenyl]-7,8-dimethoxychromen-4-one;hydrobromide
SMILESBr.COc1ccc2c(=O)cc(-c3ccc(N(C)C)cc3)oc2c1OC
InChIInChI=1S/C19H19NO4.BrH/c1-20(2)13-7-5-12(6-8-13)17-11-15(21)14-9-10-16(22-3)19(23-4)18(14)24-17;/h5-11H,1-4H3;1H
InChIKeyXQSSTERYBODMAJ-UHFFFAOYSA-N
MW406.28 g/mol
LogP4.12
Rot. Bonds4

About 2-[4-(dimethylamino)phenyl]-7,8-dimethoxychromen-4-one;hydrobromide

2-[4-(dimethylamino)phenyl]-7,8-dimethoxychromen-4-one;hydrobromide (PubChem CID 66521679) has the molecular formula C19H20BrNO4 and a molecular weight of 406.28 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-7,8-dimethoxychromen-4-one;hydrobromide.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-7,8-dimethoxychromen-4-one;hydrobromide
PubChem CID66521679
Molecular FormulaC19H20BrNO4
Molecular Weight406.28 g/mol
Exact Mass405.06
IUPAC Name2-[4-(dimethylamino)phenyl]-7,8-dimethoxychromen-4-one;hydrobromide
SMILESBr.COc1ccc2c(=O)cc(-c3ccc(N(C)C)cc3)oc2c1OC
InChIInChI=1S/C19H19NO4.BrH/c1-20(2)13-7-5-12(6-8-13)17-11-15(21)14-9-10-16(22-3)19(23-4)18(14)24-17;/h5-11H,1-4H3;1H
InChIKeyXQSSTERYBODMAJ-UHFFFAOYSA-N
XLogP4.12
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-7,8-dimethoxychromen-4-one;hydrobromide?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-7,8-dimethoxychromen-4-one;hydrobromide (CID 66521679) is 2-[4-(dimethylamino)phenyl]-7,8-dimethoxychromen-4-one;hydrobromide.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-7,8-dimethoxychromen-4-one;hydrobromide?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-7,8-dimethoxychromen-4-one;hydrobromide is Br.COc1ccc2c(=O)cc(-c3ccc(N(C)C)cc3)oc2c1OC.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-7,8-dimethoxychromen-4-one;hydrobromide?
The InChIKey is XQSSTERYBODMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4.BrH/c1-20(2)13-7-5-12(6-8-13)17-11-15(21)14-9-10-16(22-3)19(23-4)18(14)24-17;/h5-11H,1-4H3;1H.
What are the key properties of 2-[4-(dimethylamino)phenyl]-7,8-dimethoxychromen-4-one;hydrobromide?
2-[4-(dimethylamino)phenyl]-7,8-dimethoxychromen-4-one;hydrobromide has a molecular weight of 406.28 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-7,8-dimethoxychromen-4-one;hydrobromide is sourced from PubChem (CID 66521679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).