6-bromo-3-butyl-N-[4-[(dimethylamino)methyl]phenyl]quinolin-4-amine

C22H26BrN3 — CID 66715387

IUPAC6-bromo-3-butyl-N-[4-[(dimethylamino)methyl]phenyl]quinolin-4-amine
SMILESCCCCc1cnc2ccc(Br)cc2c1Nc1ccc(CN(C)C)cc1
InChIInChI=1S/C22H26BrN3/c1-4-5-6-17-14-24-21-12-9-18(23)13-20(21)22(17)25-19-10-7-16(8-11-19)15-26(2)3/h7-14H,4-6,15H2,1-3H3,(H,24,25)
InChIKeyHOWCHWWLWGJGIR-UHFFFAOYSA-N
MW412.38 g/mol
LogP6.15
Rot. Bonds7

About 6-bromo-3-butyl-N-[4-[(dimethylamino)methyl]phenyl]quinolin-4-amine

6-bromo-3-butyl-N-[4-[(dimethylamino)methyl]phenyl]quinolin-4-amine (PubChem CID 66715387) has the molecular formula C22H26BrN3 and a molecular weight of 412.38 g/mol. Its IUPAC name is 6-bromo-3-butyl-N-[4-[(dimethylamino)methyl]phenyl]quinolin-4-amine.

Molecular Properties

Compound Name6-bromo-3-butyl-N-[4-[(dimethylamino)methyl]phenyl]quinolin-4-amine
PubChem CID66715387
Molecular FormulaC22H26BrN3
Molecular Weight412.38 g/mol
Exact Mass411.13
IUPAC Name6-bromo-3-butyl-N-[4-[(dimethylamino)methyl]phenyl]quinolin-4-amine
SMILESCCCCc1cnc2ccc(Br)cc2c1Nc1ccc(CN(C)C)cc1
InChIInChI=1S/C22H26BrN3/c1-4-5-6-17-14-24-21-12-9-18(23)13-20(21)22(17)25-19-10-7-16(8-11-19)15-26(2)3/h7-14H,4-6,15H2,1-3H3,(H,24,25)
InChIKeyHOWCHWWLWGJGIR-UHFFFAOYSA-N
XLogP6.15
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.38
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-3-butyl-N-[4-[(dimethylamino)methyl]phenyl]quinolin-4-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

1-(6-bromoquinolin-3-yl)-N,N-dimethylmethanamine
CID 67476121
2-chloro-4-[4-[4-[(dimethylamino)methyl]anilino]-3-ethyl-7-methylquinolin-6-yl]-6-fluorophenol
CID 118658946
6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-fluoroquinazolin-2-amine
CID 58499078
6-bromo-3-(cyclopropylmethyl)-N-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]quinolin-4-amine
CID 66715857
6-bromo-4-N-[2-(dimethylamino)ethyl]quinoline-3,4-diamine
CID 43621177
3-[6-bromo-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]quinolin-3-yl]propanal
CID 118658975
ethyl 4-(4-acetylanilino)-6-bromoquinoline-3-carboxylate
CID 1189464
[6-bromo-4-[3-[2-(dimethylamino)ethyl]anilino]quinolin-3-yl]-cyclopropylmethanone
CID 66715828
6-bromo-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]quinazolin-4-amine
CID 133314883
[6-bromo-4-[3-(diethylaminomethyl)anilino]quinolin-3-yl]-cyclopropylmethanone
CID 123814929
6-bromo-4-N-(3,4-difluorophenyl)quinoline-3,4-diamine
CID 43621240
6-bromo-4-(propylamino)quinoline-3-carbonitrile
CID 62190068

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-butyl-N-[4-[(dimethylamino)methyl]phenyl]quinolin-4-amine?
The IUPAC name of 6-bromo-3-butyl-N-[4-[(dimethylamino)methyl]phenyl]quinolin-4-amine (CID 66715387) is 6-bromo-3-butyl-N-[4-[(dimethylamino)methyl]phenyl]quinolin-4-amine.
What is the SMILES notation for 6-bromo-3-butyl-N-[4-[(dimethylamino)methyl]phenyl]quinolin-4-amine?
The canonical SMILES for 6-bromo-3-butyl-N-[4-[(dimethylamino)methyl]phenyl]quinolin-4-amine is CCCCc1cnc2ccc(Br)cc2c1Nc1ccc(CN(C)C)cc1.
What is the InChIKey of 6-bromo-3-butyl-N-[4-[(dimethylamino)methyl]phenyl]quinolin-4-amine?
The InChIKey is HOWCHWWLWGJGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrN3/c1-4-5-6-17-14-24-21-12-9-18(23)13-20(21)22(17)25-19-10-7-16(8-11-19)15-26(2)3/h7-14H,4-6,15H2,1-3H3,(H,24,25).
What are the key properties of 6-bromo-3-butyl-N-[4-[(dimethylamino)methyl]phenyl]quinolin-4-amine?
6-bromo-3-butyl-N-[4-[(dimethylamino)methyl]phenyl]quinolin-4-amine has a molecular weight of 412.38 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-butyl-N-[4-[(dimethylamino)methyl]phenyl]quinolin-4-amine is sourced from PubChem (CID 66715387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).