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

C14H13BrN2O2 — CID 86780001

IUPAC5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)NCCC2)c1coc(Br)c1
InChIInChI=1S/C14H13BrN2O2/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)
InChIKeyPXIUXWKQZLSDQW-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.65
Rot. Bonds2

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

5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-3-carboxamide (PubChem CID 86780001) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-3-carboxamide
PubChem CID86780001
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)NCCC2)c1coc(Br)c1
InChIInChI=1S/C14H13BrN2O2/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)
InChIKeyPXIUXWKQZLSDQW-UHFFFAOYSA-N
XLogP3.65
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiophene-3-carboxamide
CID 103807021
5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-2-carboxamide
CID 63929568
5-bromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)furan-3-carboxamide;hydrochloride
CID 75469390
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
N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-2-carboxamide
CID 63929977
3-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 82877814
2,6-dichloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63930601
1,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide
CID 63928927
5-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiophene-2-carboxamide
CID 63929153
2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63930393
methyl 4-(1,2,3,4-tetrahydroquinoline-7-carbonylamino)benzoate
CID 69110343

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-3-carboxamide?
The IUPAC name of 5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-3-carboxamide (CID 86780001) is 5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-3-carboxamide?
The canonical SMILES for 5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-3-carboxamide is O=C(Nc1ccc2c(c1)NCCC2)c1coc(Br)c1.
What is the InChIKey of 5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-3-carboxamide?
The InChIKey is PXIUXWKQZLSDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/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)furan-3-carboxamide?
5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-3-carboxamide has a molecular weight of 321.17 g/mol, XLogP of 3.65, 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)furan-3-carboxamide is sourced from PubChem (CID 86780001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).