2-(3-amino-4-methoxyphenyl)-7-ethylchromen-4-one

C18H17NO3 — CID 82046634

IUPAC2-(3-amino-4-methoxyphenyl)-7-ethylchromen-4-one
SMILESCCc1ccc2c(=O)cc(-c3ccc(OC)c(N)c3)oc2c1
InChIInChI=1S/C18H17NO3/c1-3-11-4-6-13-15(20)10-17(22-18(13)8-11)12-5-7-16(21-2)14(19)9-12/h4-10H,3,19H2,1-2H3
InChIKeyMQPVKZBOYBIXLL-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.61
Rot. Bonds3

About 2-(3-amino-4-methoxyphenyl)-7-ethylchromen-4-one

2-(3-amino-4-methoxyphenyl)-7-ethylchromen-4-one (PubChem CID 82046634) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(3-amino-4-methoxyphenyl)-7-ethylchromen-4-one.

Molecular Properties

Compound Name2-(3-amino-4-methoxyphenyl)-7-ethylchromen-4-one
PubChem CID82046634
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name2-(3-amino-4-methoxyphenyl)-7-ethylchromen-4-one
SMILESCCc1ccc2c(=O)cc(-c3ccc(OC)c(N)c3)oc2c1
InChIInChI=1S/C18H17NO3/c1-3-11-4-6-13-15(20)10-17(22-18(13)8-11)12-5-7-16(21-2)14(19)9-12/h4-10H,3,19H2,1-2H3
InChIKeyMQPVKZBOYBIXLL-UHFFFAOYSA-N
XLogP3.61
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-2-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one
CID 72705992
6-ethyl-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 28811781
2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxychromen-4-one
CID 44583449
2-(5-amino-2-chlorophenyl)-7-ethylchromen-4-one
CID 82046651
2-(3,4-dimethoxyphenyl)chromen-4-one
CID 158873505
7-(3-bromopropoxy)-2-(3,4-dimethoxyphenyl)chromen-4-one
CID 69029207
ethyl 7-ethyl-4-oxochromene-2-carboxylate
CID 22924455
2-(3-hydroxy-4-methoxyphenyl)-7-phenylmethoxychromen-4-one
CID 139217483
2-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxychromen-4-one
CID 14235163
2-[4-methoxy-3-[2-[2-methoxy-5-(4-oxochromen-2-yl)phenyl]ethynyl]phenyl]chromen-4-one
CID 102579300
2-ethyl-7-methoxychromen-4-one
CID 10013150
6-ethyl-2-phenylchromen-4-one
CID 10999458

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methoxyphenyl)-7-ethylchromen-4-one?
The IUPAC name of 2-(3-amino-4-methoxyphenyl)-7-ethylchromen-4-one (CID 82046634) is 2-(3-amino-4-methoxyphenyl)-7-ethylchromen-4-one.
What is the SMILES notation for 2-(3-amino-4-methoxyphenyl)-7-ethylchromen-4-one?
The canonical SMILES for 2-(3-amino-4-methoxyphenyl)-7-ethylchromen-4-one is CCc1ccc2c(=O)cc(-c3ccc(OC)c(N)c3)oc2c1.
What is the InChIKey of 2-(3-amino-4-methoxyphenyl)-7-ethylchromen-4-one?
The InChIKey is MQPVKZBOYBIXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-3-11-4-6-13-15(20)10-17(22-18(13)8-11)12-5-7-16(21-2)14(19)9-12/h4-10H,3,19H2,1-2H3.
What are the key properties of 2-(3-amino-4-methoxyphenyl)-7-ethylchromen-4-one?
2-(3-amino-4-methoxyphenyl)-7-ethylchromen-4-one has a molecular weight of 295.34 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methoxyphenyl)-7-ethylchromen-4-one is sourced from PubChem (CID 82046634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).