6-bromo-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine

C18H17BrN2O3 — CID 134812846

IUPAC6-bromo-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine
SMILESCOc1cc(Nc2ccnc3ccc(Br)cc23)cc(OC)c1OC
InChIInChI=1S/C18H17BrN2O3/c1-22-16-9-12(10-17(23-2)18(16)24-3)21-15-6-7-20-14-5-4-11(19)8-13(14)15/h4-10H,1-3H3,(H,20,21)
InChIKeyAUOSKLDNVNGKRR-UHFFFAOYSA-N
MW389.25 g/mol
LogP4.77
Rot. Bonds5

About 6-bromo-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine

6-bromo-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine (PubChem CID 134812846) has the molecular formula C18H17BrN2O3 and a molecular weight of 389.25 g/mol. Its IUPAC name is 6-bromo-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine
PubChem CID134812846
Molecular FormulaC18H17BrN2O3
Molecular Weight389.25 g/mol
Exact Mass388.04
IUPAC Name6-bromo-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine
SMILESCOc1cc(Nc2ccnc3ccc(Br)cc23)cc(OC)c1OC
InChIInChI=1S/C18H17BrN2O3/c1-22-16-9-12(10-17(23-2)18(16)24-3)21-15-6-7-20-14-5-4-11(19)8-13(14)15/h4-10H,1-3H3,(H,20,21)
InChIKeyAUOSKLDNVNGKRR-UHFFFAOYSA-N
XLogP4.77
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-bromo-N-(3,4,5-trimethoxyphenyl)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

6,7-Dimethoxy-4-[(3,4,5-trimethoxyphenyl)amino]quinoline-3-carbonitrile
CID 5330468
4-[(3,5-Dimethoxyphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5330472
4-[(3-Bromophenyl)amino]-6,7-diethoxyquinoline-3-carbonitrile
CID 5328838
4-[(3-Bromophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328840
4-[(3-Bromo-4-methylphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328856
4-(3-Bromophenylamino)-6-ethoxy-7-methoxyquinoline-3-carbonitrile
CID 5328873
4-(3-Bromophenylamino)-7-ethoxy-6-methoxyquinoline-3-carbonitrile
CID 5328874
4-[(3-Bromophenyl)amino]-6,7-bis(2-methoxyethoxy)quinoline-3-carbonitrile
CID 5328882
6,7-Bis(2-methoxyethoxy)-4-[(3,4,5-trimethoxyphenyl)amino]quinoline-3-carbonitrile
CID 5330109
6-Methoxy-7-(2-methoxyethoxy)-4-[(3,4,5-trimethoxyphenyl)amino]quinoline-3-carbonitrile
CID 5330112
6,7-Dimethoxy-4-(3-methoxyphenoxy)quinoline
CID 22132666
4-[(3,4,5-Trimethoxyphenyl)amino]quinoline-7-carbonitrile
CID 155563824

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine?
The IUPAC name of 6-bromo-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine (CID 134812846) is 6-bromo-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine.
What is the SMILES notation for 6-bromo-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine?
The canonical SMILES for 6-bromo-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine is COc1cc(Nc2ccnc3ccc(Br)cc23)cc(OC)c1OC.
What is the InChIKey of 6-bromo-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine?
The InChIKey is AUOSKLDNVNGKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O3/c1-22-16-9-12(10-17(23-2)18(16)24-3)21-15-6-7-20-14-5-4-11(19)8-13(14)15/h4-10H,1-3H3,(H,20,21).
What are the key properties of 6-bromo-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine?
6-bromo-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine has a molecular weight of 389.25 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine is sourced from PubChem (CID 134812846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).