5-[[(3-bromoquinolin-8-yl)amino]methyl]thiophene-2-carbonitrile

C15H10BrN3S — CID 116783421

IUPAC5-[[(3-bromoquinolin-8-yl)amino]methyl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(CNc2cccc3cc(Br)cnc23)s1
InChIInChI=1S/C15H10BrN3S/c16-11-6-10-2-1-3-14(15(10)19-8-11)18-9-13-5-4-12(7-17)20-13/h1-6,8,18H,9H2
InChIKeyHASOKPVMAVAXDO-UHFFFAOYSA-N
MW344.24 g/mol
LogP4.54
Rot. Bonds3

About 5-[[(3-bromoquinolin-8-yl)amino]methyl]thiophene-2-carbonitrile

5-[[(3-bromoquinolin-8-yl)amino]methyl]thiophene-2-carbonitrile (PubChem CID 116783421) has the molecular formula C15H10BrN3S and a molecular weight of 344.24 g/mol. Its IUPAC name is 5-[[(3-bromoquinolin-8-yl)amino]methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[[(3-bromoquinolin-8-yl)amino]methyl]thiophene-2-carbonitrile
PubChem CID116783421
Molecular FormulaC15H10BrN3S
Molecular Weight344.24 g/mol
Exact Mass342.98
IUPAC Name5-[[(3-bromoquinolin-8-yl)amino]methyl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(CNc2cccc3cc(Br)cnc23)s1
InChIInChI=1S/C15H10BrN3S/c16-11-6-10-2-1-3-14(15(10)19-8-11)18-9-13-5-4-12(7-17)20-13/h1-6,8,18H,9H2
InChIKeyHASOKPVMAVAXDO-UHFFFAOYSA-N
XLogP4.54
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-8-amine
CID 116783537
4-[[(3-bromoquinolin-8-yl)amino]methyl]benzonitrile
CID 116783275
3-bromo-N-[(3-methyl-2-pyridinyl)methyl]quinolin-8-amine
CID 116784241
5-[(5-bromo-2-methylanilino)methyl]thiophene-2-carbonitrile
CID 115742776
5-[(2-cyanoanilino)methyl]thiophene-2-carbonitrile
CID 113481571
3-bromo-N-[(2,3-difluorophenyl)methyl]quinolin-8-amine
CID 116783545
3-bromo-N-[(3,4-difluorophenyl)methyl]quinolin-8-amine
CID 116783370
N-(3-bromoquinolin-8-yl)-1-cyanomethanesulfonamide
CID 116784565
3-bromo-N-[(3-methyltriazol-4-yl)methyl]quinolin-8-amine
CID 116783474
3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]quinolin-8-amine
CID 116783440
5-[[(3-bromoquinolin-8-yl)amino]methyl]furan-2-carboxylic acid
CID 116783544
5-[(5-bromo-2,4-difluoroanilino)methyl]thiophene-2-carbonitrile
CID 102853084

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-bromoquinolin-8-yl)amino]methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[[(3-bromoquinolin-8-yl)amino]methyl]thiophene-2-carbonitrile (CID 116783421) is 5-[[(3-bromoquinolin-8-yl)amino]methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[[(3-bromoquinolin-8-yl)amino]methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[[(3-bromoquinolin-8-yl)amino]methyl]thiophene-2-carbonitrile is N#Cc1ccc(CNc2cccc3cc(Br)cnc23)s1.
What is the InChIKey of 5-[[(3-bromoquinolin-8-yl)amino]methyl]thiophene-2-carbonitrile?
The InChIKey is HASOKPVMAVAXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3S/c16-11-6-10-2-1-3-14(15(10)19-8-11)18-9-13-5-4-12(7-17)20-13/h1-6,8,18H,9H2.
What are the key properties of 5-[[(3-bromoquinolin-8-yl)amino]methyl]thiophene-2-carbonitrile?
5-[[(3-bromoquinolin-8-yl)amino]methyl]thiophene-2-carbonitrile has a molecular weight of 344.24 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-bromoquinolin-8-yl)amino]methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 116783421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).