3-bromo-8-N-(furan-3-ylmethyl)-8-N-methylquinoline-5,8-diamine

C15H14BrN3O — CID 106949132

IUPAC3-bromo-8-N-(furan-3-ylmethyl)-8-N-methylquinoline-5,8-diamine
SMILESCN(Cc1ccoc1)c1ccc(N)c2cc(Br)cnc12
InChIInChI=1S/C15H14BrN3O/c1-19(8-10-4-5-20-9-10)14-3-2-13(17)12-6-11(16)7-18-15(12)14/h2-7,9H,8,17H2,1H3
InChIKeyYUAZMHTUXDSALM-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.81
Rot. Bonds3

About 3-bromo-8-N-(furan-3-ylmethyl)-8-N-methylquinoline-5,8-diamine

3-bromo-8-N-(furan-3-ylmethyl)-8-N-methylquinoline-5,8-diamine (PubChem CID 106949132) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 3-bromo-8-N-(furan-3-ylmethyl)-8-N-methylquinoline-5,8-diamine.

Molecular Properties

Compound Name3-bromo-8-N-(furan-3-ylmethyl)-8-N-methylquinoline-5,8-diamine
PubChem CID106949132
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name3-bromo-8-N-(furan-3-ylmethyl)-8-N-methylquinoline-5,8-diamine
SMILESCN(Cc1ccoc1)c1ccc(N)c2cc(Br)cnc12
InChIInChI=1S/C15H14BrN3O/c1-19(8-10-4-5-20-9-10)14-3-2-13(17)12-6-11(16)7-18-15(12)14/h2-7,9H,8,17H2,1H3
InChIKeyYUAZMHTUXDSALM-UHFFFAOYSA-N
XLogP3.81
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-bromo-8-N-methyl-8-N-(pyridin-4-ylmethyl)quinoline-5,8-diamine
CID 106949059
3-bromo-8-N-methyl-8-N-(1,3-thiazol-4-ylmethyl)quinoline-5,8-diamine
CID 106949237
3-bromo-8-N-methyl-8-N-(3-methylbutyl)quinoline-5,8-diamine
CID 106949135
3-bromo-8-N-methyl-8-N-(oxan-3-ylmethyl)quinoline-5,8-diamine
CID 106949377
4-N-(furan-3-ylmethyl)-4-N-methyl-1H-pyrazole-4,5-diamine
CID 82236923
2-amino-4-bromo-5-[furan-3-ylmethyl(methyl)amino]benzamide
CID 114278284
2-(2-aminoethyl)-5-bromo-N-(furan-3-ylmethyl)-N-methylaniline
CID 63786210
1-[(5-amino-3-bromoquinolin-8-yl)-ethylamino]-2-methylpropan-2-ol
CID 106949490
1-N-(furan-3-ylmethyl)-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 61422232
3-bromo-8-N-cyclopropyl-8-N-(2-methylpropyl)quinoline-5,8-diamine
CID 106949218
2-[(5-amino-3-bromoquinolin-8-yl)-(2-methoxyethyl)amino]ethanol
CID 106949605
3-bromo-8-N-(cyclopropylmethyl)-8-N-propan-2-ylquinoline-5,8-diamine
CID 106949222

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-N-(furan-3-ylmethyl)-8-N-methylquinoline-5,8-diamine?
The IUPAC name of 3-bromo-8-N-(furan-3-ylmethyl)-8-N-methylquinoline-5,8-diamine (CID 106949132) is 3-bromo-8-N-(furan-3-ylmethyl)-8-N-methylquinoline-5,8-diamine.
What is the SMILES notation for 3-bromo-8-N-(furan-3-ylmethyl)-8-N-methylquinoline-5,8-diamine?
The canonical SMILES for 3-bromo-8-N-(furan-3-ylmethyl)-8-N-methylquinoline-5,8-diamine is CN(Cc1ccoc1)c1ccc(N)c2cc(Br)cnc12.
What is the InChIKey of 3-bromo-8-N-(furan-3-ylmethyl)-8-N-methylquinoline-5,8-diamine?
The InChIKey is YUAZMHTUXDSALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-19(8-10-4-5-20-9-10)14-3-2-13(17)12-6-11(16)7-18-15(12)14/h2-7,9H,8,17H2,1H3.
What are the key properties of 3-bromo-8-N-(furan-3-ylmethyl)-8-N-methylquinoline-5,8-diamine?
3-bromo-8-N-(furan-3-ylmethyl)-8-N-methylquinoline-5,8-diamine has a molecular weight of 332.20 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-N-(furan-3-ylmethyl)-8-N-methylquinoline-5,8-diamine is sourced from PubChem (CID 106949132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).