5-(3-morpholin-4-ylpropylsulfanyl)-5H-chromeno[2,3-b]pyridine;hydrochloride

C19H23ClN2O2S — CID 12734186

IUPAC5-(3-morpholin-4-ylpropylsulfanyl)-5H-chromeno[2,3-b]pyridine;hydrochloride
SMILESCl.c1ccc2c(c1)Oc1ncccc1C2SCCCN1CCOCC1
InChIInChI=1S/C19H22N2O2S.ClH/c1-2-7-17-15(5-1)18(16-6-3-8-20-19(16)23-17)24-14-4-9-21-10-12-22-13-11-21;/h1-3,5-8,18H,4,9-14H2;1H
InChIKeyGCAZOWMYIZNZMP-UHFFFAOYSA-N
MW378.93 g/mol
LogP4.15
Rot. Bonds5

About 5-(3-morpholin-4-ylpropylsulfanyl)-5H-chromeno[2,3-b]pyridine;hydrochloride

5-(3-morpholin-4-ylpropylsulfanyl)-5H-chromeno[2,3-b]pyridine;hydrochloride (PubChem CID 12734186) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is 5-(3-morpholin-4-ylpropylsulfanyl)-5H-chromeno[2,3-b]pyridine;hydrochloride.

Molecular Properties

Compound Name5-(3-morpholin-4-ylpropylsulfanyl)-5H-chromeno[2,3-b]pyridine;hydrochloride
PubChem CID12734186
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC Name5-(3-morpholin-4-ylpropylsulfanyl)-5H-chromeno[2,3-b]pyridine;hydrochloride
SMILESCl.c1ccc2c(c1)Oc1ncccc1C2SCCCN1CCOCC1
InChIInChI=1S/C19H22N2O2S.ClH/c1-2-7-17-15(5-1)18(16-6-3-8-20-19(16)23-17)24-14-4-9-21-10-12-22-13-11-21;/h1-3,5-8,18H,4,9-14H2;1H
InChIKeyGCAZOWMYIZNZMP-UHFFFAOYSA-N
XLogP4.15
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(1-Methyl-4-piperidinylidene)-5H-(1)benzopyrano(2,3-b)pyridine
CID 38298
7-(3-Morpholinopropoxy)-4-phenyl-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15982171
2-Methyl-4-phenyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983453
4-(4-Methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983459
4-(4-Methoxyphenyl)-7-(3-morpholinopropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983575
4-(4-Methoxyphenyl)-2-methyl-7-(3-morpholinopropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983576
4-(3-Methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983578
2-Methyl-4-(4-(methylthio)phenyl)-7-(5-(morpholinomethyl)pyridin-2-yloxy)-1,2,3,4-tetrahydroisoquinoline
CID 25119406
(3S)-3-{4-[(4-fluoropiperidin-1-yl)methyl]phenyl}-2,3-dihydro[1,4]dioxino[2,3-b]pyridine
CID 66547961
(3S)-3-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydro[1,4]dioxino[2,3-b]pyridine
CID 66546756
(3S)-3-{4-[(3-methoxypiperidin-1-yl)methyl]phenyl}-2,3-dihydro[1,4]dioxino[2,3-b]pyridine
CID 66547110
(3S)-3-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-2,3-dihydro[1,4]dioxino[2,3-b]pyridine
CID 66547960

Frequently Asked Questions

What is the IUPAC name of 5-(3-morpholin-4-ylpropylsulfanyl)-5H-chromeno[2,3-b]pyridine;hydrochloride?
The IUPAC name of 5-(3-morpholin-4-ylpropylsulfanyl)-5H-chromeno[2,3-b]pyridine;hydrochloride (CID 12734186) is 5-(3-morpholin-4-ylpropylsulfanyl)-5H-chromeno[2,3-b]pyridine;hydrochloride.
What is the SMILES notation for 5-(3-morpholin-4-ylpropylsulfanyl)-5H-chromeno[2,3-b]pyridine;hydrochloride?
The canonical SMILES for 5-(3-morpholin-4-ylpropylsulfanyl)-5H-chromeno[2,3-b]pyridine;hydrochloride is Cl.c1ccc2c(c1)Oc1ncccc1C2SCCCN1CCOCC1.
What is the InChIKey of 5-(3-morpholin-4-ylpropylsulfanyl)-5H-chromeno[2,3-b]pyridine;hydrochloride?
The InChIKey is GCAZOWMYIZNZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S.ClH/c1-2-7-17-15(5-1)18(16-6-3-8-20-19(16)23-17)24-14-4-9-21-10-12-22-13-11-21;/h1-3,5-8,18H,4,9-14H2;1H.
What are the key properties of 5-(3-morpholin-4-ylpropylsulfanyl)-5H-chromeno[2,3-b]pyridine;hydrochloride?
5-(3-morpholin-4-ylpropylsulfanyl)-5H-chromeno[2,3-b]pyridine;hydrochloride has a molecular weight of 378.93 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-morpholin-4-ylpropylsulfanyl)-5H-chromeno[2,3-b]pyridine;hydrochloride is sourced from PubChem (CID 12734186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).