6-bromo-4-N-[1-(furan-2-yl)ethyl]quinoline-3,4-diamine

C15H14BrN3O — CID 43621334

IUPAC6-bromo-4-N-[1-(furan-2-yl)ethyl]quinoline-3,4-diamine
SMILESCC(Nc1c(N)cnc2ccc(Br)cc12)c1ccco1
InChIInChI=1S/C15H14BrN3O/c1-9(14-3-2-6-20-14)19-15-11-7-10(16)4-5-13(11)18-8-12(15)17/h2-9H,17H2,1H3,(H,18,19)
InChIKeyNTYFXCNVYOQWOV-UHFFFAOYSA-N
MW332.20 g/mol
LogP4.35
Rot. Bonds3

About 6-bromo-4-N-[1-(furan-2-yl)ethyl]quinoline-3,4-diamine

6-bromo-4-N-[1-(furan-2-yl)ethyl]quinoline-3,4-diamine (PubChem CID 43621334) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 6-bromo-4-N-[1-(furan-2-yl)ethyl]quinoline-3,4-diamine.

Molecular Properties

Compound Name6-bromo-4-N-[1-(furan-2-yl)ethyl]quinoline-3,4-diamine
PubChem CID43621334
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name6-bromo-4-N-[1-(furan-2-yl)ethyl]quinoline-3,4-diamine
SMILESCC(Nc1c(N)cnc2ccc(Br)cc12)c1ccco1
InChIInChI=1S/C15H14BrN3O/c1-9(14-3-2-6-20-14)19-15-11-7-10(16)4-5-13(11)18-8-12(15)17/h2-9H,17H2,1H3,(H,18,19)
InChIKeyNTYFXCNVYOQWOV-UHFFFAOYSA-N
XLogP4.35
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-4-N-[1-(furan-2-yl)propan-2-yl]quinoline-3,4-diamine
CID 61469421
6-bromo-4-N-(1-cyclopropylpropan-2-yl)quinoline-3,4-diamine
CID 63988688
2-[(3-amino-6-bromoquinolin-4-yl)amino]butan-1-ol
CID 43621318
6-bromo-4-N-(2-methylbutyl)quinoline-3,4-diamine
CID 55186742
6-bromo-4-N-(2-methyl-3-methylsulfanylpropyl)quinoline-3,4-diamine
CID 63981205
4-N-[1-(furan-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747303
3-[(3-amino-6-bromoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115358199
1-[(3-amino-6-bromoquinolin-4-yl)amino]-4-methylpentan-2-ol
CID 107151123
4-bromo-2,6-difluoro-N-[1-(furan-2-yl)ethyl]aniline
CID 65467932
6-bromo-4-N-cyclopentylquinoline-3,4-diamine
CID 43621174
6-bromo-4-N-[2-(dimethylamino)ethyl]quinoline-3,4-diamine
CID 43621177
6-bromo-4-N-[3-(trifluoromethyl)phenyl]quinoline-3,4-diamine
CID 118077835

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-N-[1-(furan-2-yl)ethyl]quinoline-3,4-diamine?
The IUPAC name of 6-bromo-4-N-[1-(furan-2-yl)ethyl]quinoline-3,4-diamine (CID 43621334) is 6-bromo-4-N-[1-(furan-2-yl)ethyl]quinoline-3,4-diamine.
What is the SMILES notation for 6-bromo-4-N-[1-(furan-2-yl)ethyl]quinoline-3,4-diamine?
The canonical SMILES for 6-bromo-4-N-[1-(furan-2-yl)ethyl]quinoline-3,4-diamine is CC(Nc1c(N)cnc2ccc(Br)cc12)c1ccco1.
What is the InChIKey of 6-bromo-4-N-[1-(furan-2-yl)ethyl]quinoline-3,4-diamine?
The InChIKey is NTYFXCNVYOQWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-9(14-3-2-6-20-14)19-15-11-7-10(16)4-5-13(11)18-8-12(15)17/h2-9H,17H2,1H3,(H,18,19).
What are the key properties of 6-bromo-4-N-[1-(furan-2-yl)ethyl]quinoline-3,4-diamine?
6-bromo-4-N-[1-(furan-2-yl)ethyl]quinoline-3,4-diamine has a molecular weight of 332.20 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-N-[1-(furan-2-yl)ethyl]quinoline-3,4-diamine is sourced from PubChem (CID 43621334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).