6-amino-2-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one

C18H17NO5 — CID 72705992

IUPAC6-amino-2-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one
SMILESCOc1cc2oc(-c3ccc(OC)c(OC)c3)cc(=O)c2cc1N
InChIInChI=1S/C18H17NO5/c1-21-14-5-4-10(6-18(14)23-3)15-8-13(20)11-7-12(19)17(22-2)9-16(11)24-15/h4-9H,19H2,1-3H3
InChIKeyDIKZJSCBGZDJKO-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.07
Rot. Bonds4

About 6-amino-2-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one

6-amino-2-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one (PubChem CID 72705992) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is 6-amino-2-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one.

Molecular Properties

Compound Name6-amino-2-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one
PubChem CID72705992
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name6-amino-2-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one
SMILESCOc1cc2oc(-c3ccc(OC)c(OC)c3)cc(=O)c2cc1N
InChIInChI=1S/C18H17NO5/c1-21-14-5-4-10(6-18(14)23-3)15-8-13(20)11-7-12(19)17(22-2)9-16(11)24-15/h4-9H,19H2,1-3H3
InChIKeyDIKZJSCBGZDJKO-UHFFFAOYSA-N
XLogP3.07
TPSA83.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxychromen-4-one
CID 14235163
2-(3,4-dimethoxyphenyl)chromen-4-one
CID 158873505
6,7-dimethoxy-2-[4-(4-methoxyphenyl)phenyl]chromen-4-one
CID 155754088
2-(3-amino-4-methoxyphenyl)-7-ethylchromen-4-one
CID 82046634
2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one
CID 44584772
2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
CID 158796402
7-(3-bromopropoxy)-2-(3,4-dimethoxyphenyl)chromen-4-one
CID 69029207
6,7-dimethoxy-2-[4-(pyrrolidin-1-ylmethyl)phenyl]chromen-4-one
CID 118708574
[2-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-oxochromen-5-yl] acetate
CID 12679339
6,7-dimethoxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 71436763
2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxychromen-4-one
CID 44583449
6-(1,4-diazepan-1-yl)-2-(3,4-dimethoxyphenyl)chromen-4-one
CID 71765113

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one?
The IUPAC name of 6-amino-2-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one (CID 72705992) is 6-amino-2-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one.
What is the SMILES notation for 6-amino-2-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one?
The canonical SMILES for 6-amino-2-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one is COc1cc2oc(-c3ccc(OC)c(OC)c3)cc(=O)c2cc1N.
What is the InChIKey of 6-amino-2-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one?
The InChIKey is DIKZJSCBGZDJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-21-14-5-4-10(6-18(14)23-3)15-8-13(20)11-7-12(19)17(22-2)9-16(11)24-15/h4-9H,19H2,1-3H3.
What are the key properties of 6-amino-2-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one?
6-amino-2-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one has a molecular weight of 327.34 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one is sourced from PubChem (CID 72705992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).