6-bromo-4-(4-methylazepan-1-yl)quinolin-3-amine

C16H20BrN3 — CID 63624085

IUPAC6-bromo-4-(4-methylazepan-1-yl)quinolin-3-amine
SMILESCC1CCCN(c2c(N)cnc3ccc(Br)cc23)CC1
InChIInChI=1S/C16H20BrN3/c1-11-3-2-7-20(8-6-11)16-13-9-12(17)4-5-15(13)19-10-14(16)18/h4-5,9-11H,2-3,6-8,18H2,1H3
InChIKeyITMHAHKVRMVMFN-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.21
Rot. Bonds1

About 6-bromo-4-(4-methylazepan-1-yl)quinolin-3-amine

6-bromo-4-(4-methylazepan-1-yl)quinolin-3-amine (PubChem CID 63624085) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 6-bromo-4-(4-methylazepan-1-yl)quinolin-3-amine.

Molecular Properties

Compound Name6-bromo-4-(4-methylazepan-1-yl)quinolin-3-amine
PubChem CID63624085
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name6-bromo-4-(4-methylazepan-1-yl)quinolin-3-amine
SMILESCC1CCCN(c2c(N)cnc3ccc(Br)cc23)CC1
InChIInChI=1S/C16H20BrN3/c1-11-3-2-7-20(8-6-11)16-13-9-12(17)4-5-15(13)19-10-14(16)18/h4-5,9-11H,2-3,6-8,18H2,1H3
InChIKeyITMHAHKVRMVMFN-UHFFFAOYSA-N
XLogP4.21
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-4-(4-methylazepan-1-yl)quinolin-3-amine 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-pyrrolidin-1-ylquinolin-3-amine
CID 43621123
1-[1-(3-amino-6-bromoquinolin-4-yl)piperidin-4-yl]ethanol
CID 106835353
[1-(3-amino-6-bromoquinolin-4-yl)piperidin-4-yl]methanol
CID 43621280
6-bromo-4-[4-(methoxymethyl)piperidin-1-yl]quinolin-3-amine
CID 63971710
6-bromo-4-(3-methoxypyrrolidin-1-yl)quinolin-3-amine
CID 103530492
5-bromo-4-(4-methylazepan-1-yl)pyridin-3-amine
CID 103518144
6-bromo-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]quinolin-3-amine
CID 81450399
6-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)quinolin-3-amine
CID 107390554
6-bromo-4-(3-methylcyclohexyl)sulfanylquinolin-3-amine
CID 63538058
1-(5-bromo-2-pyridinyl)-4-methylazepane
CID 55249997
6-bromo-4-N-cyclopentyl-4-N-methylquinoline-3,4-diamine
CID 43621293
6-bromo-4-N-(cyclobutylmethyl)-4-N-methylquinoline-3,4-diamine
CID 55125947

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(4-methylazepan-1-yl)quinolin-3-amine?
The IUPAC name of 6-bromo-4-(4-methylazepan-1-yl)quinolin-3-amine (CID 63624085) is 6-bromo-4-(4-methylazepan-1-yl)quinolin-3-amine.
What is the SMILES notation for 6-bromo-4-(4-methylazepan-1-yl)quinolin-3-amine?
The canonical SMILES for 6-bromo-4-(4-methylazepan-1-yl)quinolin-3-amine is CC1CCCN(c2c(N)cnc3ccc(Br)cc23)CC1.
What is the InChIKey of 6-bromo-4-(4-methylazepan-1-yl)quinolin-3-amine?
The InChIKey is ITMHAHKVRMVMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-11-3-2-7-20(8-6-11)16-13-9-12(17)4-5-15(13)19-10-14(16)18/h4-5,9-11H,2-3,6-8,18H2,1H3.
What are the key properties of 6-bromo-4-(4-methylazepan-1-yl)quinolin-3-amine?
6-bromo-4-(4-methylazepan-1-yl)quinolin-3-amine has a molecular weight of 334.26 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(4-methylazepan-1-yl)quinolin-3-amine is sourced from PubChem (CID 63624085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).