5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiophene-3-carboxamide

C14H13BrN2OS — CID 103807021

IUPAC5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiophene-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)NCCC2)c1csc(Br)c1
InChIInChI=1S/C14H13BrN2OS/c15-13-6-10(8-19-13)14(18)17-11-4-3-9-2-1-5-16-12(9)7-11/h3-4,6-8,16H,1-2,5H2,(H,17,18)
InChIKeyNYHVGNIXUIBDSV-UHFFFAOYSA-N
MW337.24 g/mol
LogP4.12
Rot. Bonds2

About 5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiophene-3-carboxamide

5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiophene-3-carboxamide (PubChem CID 103807021) has the molecular formula C14H13BrN2OS and a molecular weight of 337.24 g/mol. Its IUPAC name is 5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiophene-3-carboxamide
PubChem CID103807021
Molecular FormulaC14H13BrN2OS
Molecular Weight337.24 g/mol
Exact Mass335.99
IUPAC Name5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiophene-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)NCCC2)c1csc(Br)c1
InChIInChI=1S/C14H13BrN2OS/c15-13-6-10(8-19-13)14(18)17-11-4-3-9-2-1-5-16-12(9)7-11/h3-4,6-8,16H,1-2,5H2,(H,17,18)
InChIKeyNYHVGNIXUIBDSV-UHFFFAOYSA-N
XLogP4.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-3-carboxamide
CID 86780001
N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrimidine-5-carboxamide
CID 102922274
3,4-difluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63928507
5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-2-carboxamide
CID 63929568
2,6-dichloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63930601
2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63930393
N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-2-carboxamide
CID 63929977
5-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiophene-2-carboxamide
CID 63929153
3-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 82877814
methyl 4-(1,2,3,4-tetrahydroquinoline-7-carbonylamino)benzoate
CID 69110343
N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-1,2,4-triazole-5-carboxamide
CID 63928514
1-ethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide
CID 63931240

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiophene-3-carboxamide (CID 103807021) is 5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiophene-3-carboxamide is O=C(Nc1ccc2c(c1)NCCC2)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiophene-3-carboxamide?
The InChIKey is NYHVGNIXUIBDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2OS/c15-13-6-10(8-19-13)14(18)17-11-4-3-9-2-1-5-16-12(9)7-11/h3-4,6-8,16H,1-2,5H2,(H,17,18).
What are the key properties of 5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiophene-3-carboxamide?
5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiophene-3-carboxamide has a molecular weight of 337.24 g/mol, XLogP of 4.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiophene-3-carboxamide is sourced from PubChem (CID 103807021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).