7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile

C19H17N3OS — CID 91379739

IUPAC7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile
SMILESN#Cc1cnc2cc(-c3csc(CN4CCOCC4)c3)ccc2c1
InChIInChI=1S/C19H17N3OS/c20-10-14-7-16-2-1-15(9-19(16)21-11-14)17-8-18(24-13-17)12-22-3-5-23-6-4-22/h1-2,7-9,11,13H,3-6,12H2
InChIKeyNTHKROVZSMJFGA-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.67
Rot. Bonds3

About 7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile

7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile (PubChem CID 91379739) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile
PubChem CID91379739
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile
SMILESN#Cc1cnc2cc(-c3csc(CN4CCOCC4)c3)ccc2c1
InChIInChI=1S/C19H17N3OS/c20-10-14-7-16-2-1-15(9-19(16)21-11-14)17-8-18(24-13-17)12-22-3-5-23-6-4-22/h1-2,7-9,11,13H,3-6,12H2
InChIKeyNTHKROVZSMJFGA-UHFFFAOYSA-N
XLogP3.67
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile;1,2,3-trimethoxybenzene
CID 174445259
4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile
CID 23438055
5-[3-[[16-[[5-(3,5-dicyanophenyl)-2-hydroxyphenyl]methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-4-hydroxyphenyl]benzene-1,3-dicarbonitrile
CID 15447864
4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzonitrile
CID 171492279
2-(2,4-dichloro-5-methoxyanilino)-7-[5-[(4-ethylpiperazin-1-yl)methyl]thiophen-3-yl]quinoline-3-carbonitrile
CID 91509401
5-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]pyridine-3-carbonitrile
CID 66934265
4-[[2-(4-nitrophenyl)-1,3-thiazol-4-yl]methyl]morpholine
CID 17139383
2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-3-yl]-N-pyridin-4-ylpyridine-3-carboxamide
CID 71061217
5-(hydroxymethyl)-8-[5-(morpholin-4-ylmethyl)thiophen-3-yl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 69453632
7-[4-[(4-cyclopropyl-3,10-dioxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methyl]-3,5-difluorophenyl]quinoline-3-carbonitrile
CID 71549898
4-(4-bromo-2-chloro-6-methylanilino)-7-[5-(morpholin-4-ylmethyl)thiophen-2-yl]quinoline-3-carbonitrile
CID 23438217
methyl 4-[7-cyano-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzoate
CID 171492195

Frequently Asked Questions

What is the IUPAC name of 7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile?
The IUPAC name of 7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile (CID 91379739) is 7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile?
The canonical SMILES for 7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile is N#Cc1cnc2cc(-c3csc(CN4CCOCC4)c3)ccc2c1.
What is the InChIKey of 7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile?
The InChIKey is NTHKROVZSMJFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c20-10-14-7-16-2-1-15(9-19(16)21-11-14)17-8-18(24-13-17)12-22-3-5-23-6-4-22/h1-2,7-9,11,13H,3-6,12H2.
What are the key properties of 7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile?
7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile has a molecular weight of 335.43 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 91379739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).