(2-amino-6-methyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone

C19H19NO5 — CID 162673436

IUPAC(2-amino-6-methyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(N)oc3cc(C)ccc23)cc(OC)c1OC
InChIInChI=1S/C19H19NO5/c1-10-5-6-12-13(7-10)25-19(20)16(12)17(21)11-8-14(22-2)18(24-4)15(9-11)23-3/h5-9H,20H2,1-4H3
InChIKeyPKDMQJAFTRBPAY-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.58
Rot. Bonds5

About (2-amino-6-methyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone

(2-amino-6-methyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 162673436) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is (2-amino-6-methyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-amino-6-methyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID162673436
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name(2-amino-6-methyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(N)oc3cc(C)ccc23)cc(OC)c1OC
InChIInChI=1S/C19H19NO5/c1-10-5-6-12-13(7-10)25-19(20)16(12)17(21)11-8-14(22-2)18(24-4)15(9-11)23-3/h5-9H,20H2,1-4H3
InChIKeyPKDMQJAFTRBPAY-UHFFFAOYSA-N
XLogP3.58
TPSA83.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-Amino-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 24880117
Tubulin polymerization-IN-13
CID 162665763
(2-Amino-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 162667200
2-(4-N-Methylpiperazino)-3-(3,4,5-trimethoxybenzoyl)-6-methoxy-benzo[b]furan
CID 11510481
(3-Amino-6-methoxy-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 44579735
[2-(3-Amino-4-methoxyphenyl)-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 56676497
(2-Amino-6-fluoro-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 162643743
(2-Amino-6-bromo-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 162664091
(2-Amino-6-propoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 162667229
(2,5-Diamino-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 162669594
(2-Amino-7-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 162671879
(2-Amino-7-ethoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 162672500

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (2-amino-6-methyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 162673436) is (2-amino-6-methyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (2-amino-6-methyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (2-amino-6-methyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2c(N)oc3cc(C)ccc23)cc(OC)c1OC.
What is the InChIKey of (2-amino-6-methyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is PKDMQJAFTRBPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-10-5-6-12-13(7-10)25-19(20)16(12)17(21)11-8-14(22-2)18(24-4)15(9-11)23-3/h5-9H,20H2,1-4H3.
What are the key properties of (2-amino-6-methyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(2-amino-6-methyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 341.36 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 162673436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).