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

C18H17NO5 — CID 70689704

IUPAC2-amino-3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one
SMILESCOc1ccc2c(=O)c(-c3ccc(OC)c(OC)c3)c(N)oc2c1
InChIInChI=1S/C18H17NO5/c1-21-11-5-6-12-14(9-11)24-18(19)16(17(12)20)10-4-7-13(22-2)15(8-10)23-3/h4-9H,19H2,1-3H3
InChIKeyYHEKYVXUHRTZNB-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.07
Rot. Bonds4

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

2-amino-3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one (PubChem CID 70689704) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-amino-3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one.

Molecular Properties

Compound Name2-amino-3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one
PubChem CID70689704
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name2-amino-3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one
SMILESCOc1ccc2c(=O)c(-c3ccc(OC)c(OC)c3)c(N)oc2c1
InChIInChI=1S/C18H17NO5/c1-21-11-5-6-12-14(9-11)24-18(19)16(17(12)20)10-4-7-13(22-2)15(8-10)23-3/h4-9H,19H2,1-3H3
InChIKeyYHEKYVXUHRTZNB-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

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Related Compounds

2-amino-6-bromo-3-(3,4-dimethoxyphenyl)chromen-4-one
CID 12710979
4-(3,4-dimethoxyphenyl)-7-methoxychromen-2-one
CID 46879082
3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromen-4-one
CID 10807373
3-bromo-2-(3,4-dimethoxyphenyl)-6-methoxy-1-benzofuran
CID 89479658
2-(bromomethyl)-7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 10619458
2-amino-3-(1H-benzimidazol-2-yl)-7-methoxychromen-4-one
CID 22695979
3-amino-7-methoxy-2-phenylchromen-4-one
CID 101481005
propyl 2-[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxypropanoate
CID 2788873
ethyl 3-(3,4-dimethoxyphenyl)-7-(2-ethoxy-2-oxo-1-phenylethoxy)-4-oxochromene-2-carboxylate
CID 5159013
3-(3,4-dimethoxyphenyl)-8-hydroxy-2,6-dimethoxychromen-4-one
CID 163003822
2-[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 1189580
[3-(3,4-dimethoxyphenyl)-4-methyl-2-oxochromen-7-yl] 3-methoxybenzoate
CID 44963593

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one?
The IUPAC name of 2-amino-3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one (CID 70689704) is 2-amino-3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one.
What is the SMILES notation for 2-amino-3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one?
The canonical SMILES for 2-amino-3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one is COc1ccc2c(=O)c(-c3ccc(OC)c(OC)c3)c(N)oc2c1.
What is the InChIKey of 2-amino-3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one?
The InChIKey is YHEKYVXUHRTZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-21-11-5-6-12-14(9-11)24-18(19)16(17(12)20)10-4-7-13(22-2)15(8-10)23-3/h4-9H,19H2,1-3H3.
What are the key properties of 2-amino-3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one?
2-amino-3-(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 2-amino-3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one is sourced from PubChem (CID 70689704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).