(NZ)-N-[(1-methylindol-5-yl)-(2,3,4-trimethoxyphenyl)methylidene]hydroxylamine

C19H20N2O4 — CID 45113907

IUPAC(NZ)-N-[(1-methylindol-5-yl)-(2,3,4-trimethoxyphenyl)methylidene]hydroxylamine
SMILESCOc1ccc(/C(=N\O)c2ccc3c(ccn3C)c2)c(OC)c1OC
InChIInChI=1S/C19H20N2O4/c1-21-10-9-12-11-13(5-7-15(12)21)17(20-22)14-6-8-16(23-2)19(25-4)18(14)24-3/h5-11,22H,1-4H3/b20-17-
InChIKeyVFKADOCGCFJYGU-JZJYNLBNSA-N
MW340.38 g/mol
LogP3.43
Rot. Bonds5

About (NZ)-N-[(1-methylindol-5-yl)-(2,3,4-trimethoxyphenyl)methylidene]hydroxylamine

(NZ)-N-[(1-methylindol-5-yl)-(2,3,4-trimethoxyphenyl)methylidene]hydroxylamine (PubChem CID 45113907) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (NZ)-N-[(1-methylindol-5-yl)-(2,3,4-trimethoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(1-methylindol-5-yl)-(2,3,4-trimethoxyphenyl)methylidene]hydroxylamine
PubChem CID45113907
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(NZ)-N-[(1-methylindol-5-yl)-(2,3,4-trimethoxyphenyl)methylidene]hydroxylamine
SMILESCOc1ccc(/C(=N\O)c2ccc3c(ccn3C)c2)c(OC)c1OC
InChIInChI=1S/C19H20N2O4/c1-21-10-9-12-11-13(5-7-15(12)21)17(20-22)14-6-8-16(23-2)19(25-4)18(14)24-3/h5-11,22H,1-4H3/b20-17-
InChIKeyVFKADOCGCFJYGU-JZJYNLBNSA-N
XLogP3.43
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(1-methylindol-5-yl)-(2,3,4-trimethoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(1-methylindol-5-yl)-(2,3,4-trimethoxyphenyl)methylidene]hydroxylamine (CID 45113907) is (NZ)-N-[(1-methylindol-5-yl)-(2,3,4-trimethoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(1-methylindol-5-yl)-(2,3,4-trimethoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(1-methylindol-5-yl)-(2,3,4-trimethoxyphenyl)methylidene]hydroxylamine is COc1ccc(/C(=N\O)c2ccc3c(ccn3C)c2)c(OC)c1OC.
What is the InChIKey of (NZ)-N-[(1-methylindol-5-yl)-(2,3,4-trimethoxyphenyl)methylidene]hydroxylamine?
The InChIKey is VFKADOCGCFJYGU-JZJYNLBNSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-21-10-9-12-11-13(5-7-15(12)21)17(20-22)14-6-8-16(23-2)19(25-4)18(14)24-3/h5-11,22H,1-4H3/b20-17-.
What are the key properties of (NZ)-N-[(1-methylindol-5-yl)-(2,3,4-trimethoxyphenyl)methylidene]hydroxylamine?
(NZ)-N-[(1-methylindol-5-yl)-(2,3,4-trimethoxyphenyl)methylidene]hydroxylamine has a molecular weight of 340.38 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(1-methylindol-5-yl)-(2,3,4-trimethoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 45113907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).