6-bromo-4-N-(cyclobutylmethyl)-4-N-methylquinoline-3,4-diamine

C15H18BrN3 — CID 55125947

IUPAC6-bromo-4-N-(cyclobutylmethyl)-4-N-methylquinoline-3,4-diamine
SMILESCN(CC1CCC1)c1c(N)cnc2ccc(Br)cc12
InChIInChI=1S/C15H18BrN3/c1-19(9-10-3-2-4-10)15-12-7-11(16)5-6-14(12)18-8-13(15)17/h5-8,10H,2-4,9,17H2,1H3
InChIKeyKTDSYJJSWHRTID-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.82
Rot. Bonds3

About 6-bromo-4-N-(cyclobutylmethyl)-4-N-methylquinoline-3,4-diamine

6-bromo-4-N-(cyclobutylmethyl)-4-N-methylquinoline-3,4-diamine (PubChem CID 55125947) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 6-bromo-4-N-(cyclobutylmethyl)-4-N-methylquinoline-3,4-diamine.

Molecular Properties

Compound Name6-bromo-4-N-(cyclobutylmethyl)-4-N-methylquinoline-3,4-diamine
PubChem CID55125947
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name6-bromo-4-N-(cyclobutylmethyl)-4-N-methylquinoline-3,4-diamine
SMILESCN(CC1CCC1)c1c(N)cnc2ccc(Br)cc12
InChIInChI=1S/C15H18BrN3/c1-19(9-10-3-2-4-10)15-12-7-11(16)5-6-14(12)18-8-13(15)17/h5-8,10H,2-4,9,17H2,1H3
InChIKeyKTDSYJJSWHRTID-UHFFFAOYSA-N
XLogP3.82
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-4-N-(cyclobutylmethyl)-4-N-methylquinoline-3,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-4-N-methyl-4-N-(oxan-2-ylmethyl)quinoline-3,4-diamine
CID 61431679
6-bromo-4-N-cyclopentyl-4-N-methylquinoline-3,4-diamine
CID 43621293
2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]cyclohexan-1-ol
CID 102631408
2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]-N-methylacetamide
CID 43621315
6-bromo-4-N-(cyclohexylmethyl)quinoline-3,4-diamine
CID 43621310
6-bromo-4-N,4-N-bis(2-methoxyethyl)quinoline-3,4-diamine
CID 43621365
6-bromo-4-N-ethyl-4-N-phenylquinoline-3,4-diamine
CID 43621145
6-bromo-4-N-(3-cyclopentylpropyl)quinoline-3,4-diamine
CID 106007171
6-bromo-4-N-cyclopentylquinoline-3,4-diamine
CID 43621174
6-bromo-4-[4-(methoxymethyl)piperidin-1-yl]quinolin-3-amine
CID 63971710
[1-(3-amino-6-bromoquinolin-4-yl)piperidin-4-yl]methanol
CID 43621280
4-bromo-1-N-(cyclopropylmethyl)-1-N-methylbenzene-1,2-diamine
CID 60985000

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-N-(cyclobutylmethyl)-4-N-methylquinoline-3,4-diamine?
The IUPAC name of 6-bromo-4-N-(cyclobutylmethyl)-4-N-methylquinoline-3,4-diamine (CID 55125947) is 6-bromo-4-N-(cyclobutylmethyl)-4-N-methylquinoline-3,4-diamine.
What is the SMILES notation for 6-bromo-4-N-(cyclobutylmethyl)-4-N-methylquinoline-3,4-diamine?
The canonical SMILES for 6-bromo-4-N-(cyclobutylmethyl)-4-N-methylquinoline-3,4-diamine is CN(CC1CCC1)c1c(N)cnc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-4-N-(cyclobutylmethyl)-4-N-methylquinoline-3,4-diamine?
The InChIKey is KTDSYJJSWHRTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-19(9-10-3-2-4-10)15-12-7-11(16)5-6-14(12)18-8-13(15)17/h5-8,10H,2-4,9,17H2,1H3.
What are the key properties of 6-bromo-4-N-(cyclobutylmethyl)-4-N-methylquinoline-3,4-diamine?
6-bromo-4-N-(cyclobutylmethyl)-4-N-methylquinoline-3,4-diamine has a molecular weight of 320.23 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-N-(cyclobutylmethyl)-4-N-methylquinoline-3,4-diamine is sourced from PubChem (CID 55125947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).