(NZ)-N-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine

C27H23N3O3S — CID 136503331

IUPAC(NZ)-N-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine
SMILESO/N=c1/cc(-c2cc3sccc3cn2)oc2ccc(OCCN3CCc4ccccc4C3)cc12
InChIInChI=1S/C27H23N3O3S/c31-29-23-14-26(24-15-27-19(16-28-24)8-12-34-27)33-25-6-5-21(13-22(23)25)32-11-10-30-9-7-18-3-1-2-4-20(18)17-30/h1-6,8,12-16,31H,7,9-11,17H2/b29-23-
InChIKeySJGNLNNQOJOVNN-FAJYDZGRSA-N
MW469.57 g/mol
LogP5.44
Rot. Bonds5

About (NZ)-N-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine

(NZ)-N-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine (PubChem CID 136503331) has the molecular formula C27H23N3O3S and a molecular weight of 469.57 g/mol. Its IUPAC name is (NZ)-N-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine
PubChem CID136503331
Molecular FormulaC27H23N3O3S
Molecular Weight469.57 g/mol
Exact Mass469.15
IUPAC Name(NZ)-N-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine
SMILESO/N=c1/cc(-c2cc3sccc3cn2)oc2ccc(OCCN3CCc4ccccc4C3)cc12
InChIInChI=1S/C27H23N3O3S/c31-29-23-14-26(24-15-27-19(16-28-24)8-12-34-27)33-25-6-5-21(13-22(23)25)32-11-10-30-9-7-18-3-1-2-4-20(18)17-30/h1-6,8,12-16,31H,7,9-11,17H2/b29-23-
InChIKeySJGNLNNQOJOVNN-FAJYDZGRSA-N
XLogP5.44
TPSA71.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.57
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine (CID 136503331) is (NZ)-N-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine is O/N=c1/cc(-c2cc3sccc3cn2)oc2ccc(OCCN3CCc4ccccc4C3)cc12.
What is the InChIKey of (NZ)-N-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine?
The InChIKey is SJGNLNNQOJOVNN-FAJYDZGRSA-N. The full InChI is InChI=1S/C27H23N3O3S/c31-29-23-14-26(24-15-27-19(16-28-24)8-12-34-27)33-25-6-5-21(13-22(23)25)32-11-10-30-9-7-18-3-1-2-4-20(18)17-30/h1-6,8,12-16,31H,7,9-11,17H2/b29-23-.
What are the key properties of (NZ)-N-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine?
(NZ)-N-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine has a molecular weight of 469.57 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine is sourced from PubChem (CID 136503331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).