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

C14H13BrN2O2 — CID 63929568

IUPAC5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)NCCC2)c1ccc(Br)o1
InChIInChI=1S/C14H13BrN2O2/c15-13-6-5-12(19-13)14(18)17-10-4-3-9-2-1-7-16-11(9)8-10/h3-6,8,16H,1-2,7H2,(H,17,18)
InChIKeyKVNLAQVMUXFDGD-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.65
Rot. Bonds2

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

5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-2-carboxamide (PubChem CID 63929568) 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-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-2-carboxamide
PubChem CID63929568
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)NCCC2)c1ccc(Br)o1
InChIInChI=1S/C14H13BrN2O2/c15-13-6-5-12(19-13)14(18)17-10-4-3-9-2-1-7-16-11(9)8-10/h3-6,8,16H,1-2,7H2,(H,17,18)
InChIKeyKVNLAQVMUXFDGD-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)furan-3-carboxamide
CID 86780001
N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-2-carboxamide
CID 63929977
5-bromo-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)furan-2-carboxamide
CID 90524797
5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiophene-3-carboxamide
CID 103807021
N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrimidine-5-carboxamide
CID 102922274
2,6-dichloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63930601
3-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-4-carboxamide
CID 66482233
2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63930393
3,4-difluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63928507
5-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiophene-2-carboxamide
CID 63929153
5-bromo-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]furan-2-carboxamide
CID 7586241
5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)furan-2-carboxamide
CID 34441377

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-2-carboxamide (CID 63929568) is 5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-2-carboxamide is O=C(Nc1ccc2c(c1)NCCC2)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-2-carboxamide?
The InChIKey is KVNLAQVMUXFDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c15-13-6-5-12(19-13)14(18)17-10-4-3-9-2-1-7-16-11(9)8-10/h3-6,8,16H,1-2,7H2,(H,17,18).
What are the key properties of 5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-2-carboxamide?
5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-2-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-2-carboxamide is sourced from PubChem (CID 63929568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).