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

C21H21NO5 — CID 25180514

IUPAC(1-amino-6-methoxynaphthalen-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(N)c(C(=O)c3cc(OC)c(OC)c(OC)c3)ccc2c1
InChIInChI=1S/C21H21NO5/c1-24-14-6-8-15-12(9-14)5-7-16(19(15)22)20(23)13-10-17(25-2)21(27-4)18(11-13)26-3/h5-11H,22H2,1-4H3
InChIKeyNQNIGYLPORJIGX-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.69
Rot. Bonds6

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

(1-amino-6-methoxynaphthalen-2-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 25180514) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is (1-amino-6-methoxynaphthalen-2-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(1-amino-6-methoxynaphthalen-2-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID25180514
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name(1-amino-6-methoxynaphthalen-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(N)c(C(=O)c3cc(OC)c(OC)c(OC)c3)ccc2c1
InChIInChI=1S/C21H21NO5/c1-24-14-6-8-15-12(9-14)5-7-16(19(15)22)20(23)13-10-17(25-2)21(27-4)18(11-13)26-3/h5-11H,22H2,1-4H3
InChIKeyNQNIGYLPORJIGX-UHFFFAOYSA-N
XLogP3.69
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-amino-6-methoxynaphthalen-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (1-amino-6-methoxynaphthalen-2-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 25180514) is (1-amino-6-methoxynaphthalen-2-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (1-amino-6-methoxynaphthalen-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (1-amino-6-methoxynaphthalen-2-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1ccc2c(N)c(C(=O)c3cc(OC)c(OC)c(OC)c3)ccc2c1.
What is the InChIKey of (1-amino-6-methoxynaphthalen-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is NQNIGYLPORJIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-24-14-6-8-15-12(9-14)5-7-16(19(15)22)20(23)13-10-17(25-2)21(27-4)18(11-13)26-3/h5-11H,22H2,1-4H3.
What are the key properties of (1-amino-6-methoxynaphthalen-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
(1-amino-6-methoxynaphthalen-2-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 367.40 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-6-methoxynaphthalen-2-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 25180514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).