N-[6-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine;hydrochloride

C24H26ClN3O4S — CID 137187585

IUPACN-[6-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine;hydrochloride
SMILESCC1CN(CCOc2ccc3oc(-c4cc5sccc5cn4)cc(=NO)c3c2)CC(C)O1.Cl
InChIInChI=1S/C24H25N3O4S.ClH/c1-15-13-27(14-16(2)30-15)6-7-29-18-3-4-22-19(9-18)20(26-28)10-23(31-22)21-11-24-17(12-25-21)5-8-32-24;/h3-5,8-12,15-16,28H,6-7,13-14H2,1-2H3;1H
InChIKeyYGTGWZYEHFWYSO-UHFFFAOYSA-N
MW488.01 g/mol
LogP4.91
Rot. Bonds5

About N-[6-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine;hydrochloride

N-[6-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine;hydrochloride (PubChem CID 137187585) has the molecular formula C24H26ClN3O4S and a molecular weight of 488.01 g/mol. Its IUPAC name is N-[6-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameN-[6-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine;hydrochloride
PubChem CID137187585
Molecular FormulaC24H26ClN3O4S
Molecular Weight488.01 g/mol
Exact Mass487.13
IUPAC NameN-[6-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine;hydrochloride
SMILESCC1CN(CCOc2ccc3oc(-c4cc5sccc5cn4)cc(=NO)c3c2)CC(C)O1.Cl
InChIInChI=1S/C24H25N3O4S.ClH/c1-15-13-27(14-16(2)30-15)6-7-29-18-3-4-22-19(9-18)20(26-28)10-23(31-22)21-11-24-17(12-25-21)5-8-32-24;/h3-5,8-12,15-16,28H,6-7,13-14H2,1-2H3;1H
InChIKeyYGTGWZYEHFWYSO-UHFFFAOYSA-N
XLogP4.91
TPSA80.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.01
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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Related Compounds

Foliglurax
CID 135565465
(NE)-N-[6-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine
CID 136415539
(NE)-N-[6-(2-morpholin-4-ylethoxy)-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine
CID 136415554
(NE)-N-(2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene)hydroxylamine
CID 136503356
(NE)-N-(2-thieno[2,3-c]pyridin-5-ylchromen-4-ylidene)hydroxylamine
CID 136503386
(NE)-N-[6-[2-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethoxy]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine
CID 137631968
(NE)-N-[6-[[1-(2-methyl-3-pyridinyl)piperidin-4-yl]methyl]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine
CID 137639864
(NE)-N-[6-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]oxy-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine
CID 137644474
1-[3-[(4E)-4-hydroxyimino-2-thieno[3,2-c]pyridin-6-ylchromen-6-yl]oxyazetidin-1-yl]ethanone
CID 137646208
(NE)-N-[6-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine
CID 137648591
1-[4-[[(4E)-4-hydroxyimino-2-thieno[3,2-c]pyridin-6-ylchromen-6-yl]oxymethyl]piperidin-1-yl]ethanone
CID 137656701
(NE)-N-[6-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine
CID 137659319

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine;hydrochloride?
The IUPAC name of N-[6-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine;hydrochloride (CID 137187585) is N-[6-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine;hydrochloride.
What is the SMILES notation for N-[6-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine;hydrochloride?
The canonical SMILES for N-[6-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine;hydrochloride is CC1CN(CCOc2ccc3oc(-c4cc5sccc5cn4)cc(=NO)c3c2)CC(C)O1.Cl.
What is the InChIKey of N-[6-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine;hydrochloride?
The InChIKey is YGTGWZYEHFWYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S.ClH/c1-15-13-27(14-16(2)30-15)6-7-29-18-3-4-22-19(9-18)20(26-28)10-23(31-22)21-11-24-17(12-25-21)5-8-32-24;/h3-5,8-12,15-16,28H,6-7,13-14H2,1-2H3;1H.
What are the key properties of N-[6-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine;hydrochloride?
N-[6-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine;hydrochloride has a molecular weight of 488.01 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine;hydrochloride is sourced from PubChem (CID 137187585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).