6-bromo-4-N,4-N-bis(2-methoxyethyl)quinoline-3,4-diamine

C15H20BrN3O2 — CID 43621365

IUPAC6-bromo-4-N,4-N-bis(2-methoxyethyl)quinoline-3,4-diamine
SMILESCOCCN(CCOC)c1c(N)cnc2ccc(Br)cc12
InChIInChI=1S/C15H20BrN3O2/c1-20-7-5-19(6-8-21-2)15-12-9-11(16)3-4-14(12)18-10-13(15)17/h3-4,9-10H,5-8,17H2,1-2H3
InChIKeyHMDIMJUDNIFIPQ-UHFFFAOYSA-N
MW354.25 g/mol
LogP2.68
Rot. Bonds7

About 6-bromo-4-N,4-N-bis(2-methoxyethyl)quinoline-3,4-diamine

6-bromo-4-N,4-N-bis(2-methoxyethyl)quinoline-3,4-diamine (PubChem CID 43621365) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 6-bromo-4-N,4-N-bis(2-methoxyethyl)quinoline-3,4-diamine.

Molecular Properties

Compound Name6-bromo-4-N,4-N-bis(2-methoxyethyl)quinoline-3,4-diamine
PubChem CID43621365
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name6-bromo-4-N,4-N-bis(2-methoxyethyl)quinoline-3,4-diamine
SMILESCOCCN(CCOC)c1c(N)cnc2ccc(Br)cc12
InChIInChI=1S/C15H20BrN3O2/c1-20-7-5-19(6-8-21-2)15-12-9-11(16)3-4-14(12)18-10-13(15)17/h3-4,9-10H,5-8,17H2,1-2H3
InChIKeyHMDIMJUDNIFIPQ-UHFFFAOYSA-N
XLogP2.68
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-ethyl-4-N-(2-methoxyethyl)quinoline-3,4-diamine
CID 103962995
6-bromo-4-[3-(dimethylamino)propoxy]quinolin-3-amine
CID 61102494
2-[(3-amino-6-bromoquinolin-4-yl)-ethylamino]-N-methylacetamide
CID 43621357
6-bromo-4-N-ethyl-4-N-phenylquinoline-3,4-diamine
CID 43621145
6-bromo-4-N-(cyclobutylmethyl)-4-N-methylquinoline-3,4-diamine
CID 55125947
4-N-(2-methoxyethyl)-4-N-methylquinoline-3,4-diamine
CID 113359409
6-bromo-4-N-cyclopentyl-4-N-methylquinoline-3,4-diamine
CID 43621293
2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]-N-methylacetamide
CID 43621315
4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)quinoline-3,4-diamine
CID 103963108
6-bromo-4-[4-(methoxymethyl)piperidin-1-yl]quinolin-3-amine
CID 63971710
6-bromo-4-N-[2-(dimethylamino)ethyl]quinoline-3,4-diamine
CID 43621177
2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]cyclohexan-1-ol
CID 102631408

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-N,4-N-bis(2-methoxyethyl)quinoline-3,4-diamine?
The IUPAC name of 6-bromo-4-N,4-N-bis(2-methoxyethyl)quinoline-3,4-diamine (CID 43621365) is 6-bromo-4-N,4-N-bis(2-methoxyethyl)quinoline-3,4-diamine.
What is the SMILES notation for 6-bromo-4-N,4-N-bis(2-methoxyethyl)quinoline-3,4-diamine?
The canonical SMILES for 6-bromo-4-N,4-N-bis(2-methoxyethyl)quinoline-3,4-diamine is COCCN(CCOC)c1c(N)cnc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-4-N,4-N-bis(2-methoxyethyl)quinoline-3,4-diamine?
The InChIKey is HMDIMJUDNIFIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-20-7-5-19(6-8-21-2)15-12-9-11(16)3-4-14(12)18-10-13(15)17/h3-4,9-10H,5-8,17H2,1-2H3.
What are the key properties of 6-bromo-4-N,4-N-bis(2-methoxyethyl)quinoline-3,4-diamine?
6-bromo-4-N,4-N-bis(2-methoxyethyl)quinoline-3,4-diamine has a molecular weight of 354.25 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-N,4-N-bis(2-methoxyethyl)quinoline-3,4-diamine is sourced from PubChem (CID 43621365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).