4-[(6-bromo-3-pyridinyl)oxy]-N-[(4-ethoxyphenyl)methyl]-6,7-dimethoxyquinolin-2-amine

C25H24BrN3O4 — CID 155315706

IUPAC4-[(6-bromo-3-pyridinyl)oxy]-N-[(4-ethoxyphenyl)methyl]-6,7-dimethoxyquinolin-2-amine
SMILESCCOc1ccc(CNc2cc(Oc3ccc(Br)nc3)c3cc(OC)c(OC)cc3n2)cc1
InChIInChI=1S/C25H24BrN3O4/c1-4-32-17-7-5-16(6-8-17)14-28-25-13-21(33-18-9-10-24(26)27-15-18)19-11-22(30-2)23(31-3)12-20(19)29-25/h5-13,15H,4,14H2,1-3H3,(H,28,29)
InChIKeyNPQRVGIJSSWTGW-UHFFFAOYSA-N
MW510.39 g/mol
LogP6.21
Rot. Bonds9

About 4-[(6-bromo-3-pyridinyl)oxy]-N-[(4-ethoxyphenyl)methyl]-6,7-dimethoxyquinolin-2-amine

4-[(6-bromo-3-pyridinyl)oxy]-N-[(4-ethoxyphenyl)methyl]-6,7-dimethoxyquinolin-2-amine (PubChem CID 155315706) has the molecular formula C25H24BrN3O4 and a molecular weight of 510.39 g/mol. Its IUPAC name is 4-[(6-bromo-3-pyridinyl)oxy]-N-[(4-ethoxyphenyl)methyl]-6,7-dimethoxyquinolin-2-amine.

Molecular Properties

Compound Name4-[(6-bromo-3-pyridinyl)oxy]-N-[(4-ethoxyphenyl)methyl]-6,7-dimethoxyquinolin-2-amine
PubChem CID155315706
Molecular FormulaC25H24BrN3O4
Molecular Weight510.39 g/mol
Exact Mass509.10
IUPAC Name4-[(6-bromo-3-pyridinyl)oxy]-N-[(4-ethoxyphenyl)methyl]-6,7-dimethoxyquinolin-2-amine
SMILESCCOc1ccc(CNc2cc(Oc3ccc(Br)nc3)c3cc(OC)c(OC)cc3n2)cc1
InChIInChI=1S/C25H24BrN3O4/c1-4-32-17-7-5-16(6-8-17)14-28-25-13-21(33-18-9-10-24(26)27-15-18)19-11-22(30-2)23(31-3)12-20(19)29-25/h5-13,15H,4,14H2,1-3H3,(H,28,29)
InChIKeyNPQRVGIJSSWTGW-UHFFFAOYSA-N
XLogP6.21
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.39
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[(6-bromo-3-pyridinyl)oxy]-N-[(4-ethoxyphenyl)methyl]-6,7-dimethoxyquinolin-2-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

4-[(6-bromo-3-pyridinyl)oxy]-6,7-dimethoxy-N-[(4-methoxyphenyl)methyl]quinolin-2-amine
CID 139337003
5-bromo-N-[(4-ethoxyphenyl)methyl]-2-methoxyaniline
CID 61060250
7-bromo-N-[(4-methoxyphenyl)methyl]-4-methyl-1,5-naphthyridin-2-amine
CID 166460553
N-[(4-bromophenyl)methyl]-5-methoxypyridin-2-amine
CID 103802163
N-[(4-bromophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66325047
6-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine
CID 103926109
6-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80785216
2-bromo-4-[(4-ethoxyanilino)methyl]-6-methoxyphenol
CID 29041411
3-bromo-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine
CID 164934777
6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpyridin-3-amine
CID 104600023
5-chloro-N-[(4-ethoxyphenyl)methyl]pyridin-2-amine
CID 17380150
4-amino-2-ethoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carbonitrile
CID 70924868

Frequently Asked Questions

What is the IUPAC name of 4-[(6-bromo-3-pyridinyl)oxy]-N-[(4-ethoxyphenyl)methyl]-6,7-dimethoxyquinolin-2-amine?
The IUPAC name of 4-[(6-bromo-3-pyridinyl)oxy]-N-[(4-ethoxyphenyl)methyl]-6,7-dimethoxyquinolin-2-amine (CID 155315706) is 4-[(6-bromo-3-pyridinyl)oxy]-N-[(4-ethoxyphenyl)methyl]-6,7-dimethoxyquinolin-2-amine.
What is the SMILES notation for 4-[(6-bromo-3-pyridinyl)oxy]-N-[(4-ethoxyphenyl)methyl]-6,7-dimethoxyquinolin-2-amine?
The canonical SMILES for 4-[(6-bromo-3-pyridinyl)oxy]-N-[(4-ethoxyphenyl)methyl]-6,7-dimethoxyquinolin-2-amine is CCOc1ccc(CNc2cc(Oc3ccc(Br)nc3)c3cc(OC)c(OC)cc3n2)cc1.
What is the InChIKey of 4-[(6-bromo-3-pyridinyl)oxy]-N-[(4-ethoxyphenyl)methyl]-6,7-dimethoxyquinolin-2-amine?
The InChIKey is NPQRVGIJSSWTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrN3O4/c1-4-32-17-7-5-16(6-8-17)14-28-25-13-21(33-18-9-10-24(26)27-15-18)19-11-22(30-2)23(31-3)12-20(19)29-25/h5-13,15H,4,14H2,1-3H3,(H,28,29).
What are the key properties of 4-[(6-bromo-3-pyridinyl)oxy]-N-[(4-ethoxyphenyl)methyl]-6,7-dimethoxyquinolin-2-amine?
4-[(6-bromo-3-pyridinyl)oxy]-N-[(4-ethoxyphenyl)methyl]-6,7-dimethoxyquinolin-2-amine has a molecular weight of 510.39 g/mol, XLogP of 6.21, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-bromo-3-pyridinyl)oxy]-N-[(4-ethoxyphenyl)methyl]-6,7-dimethoxyquinolin-2-amine is sourced from PubChem (CID 155315706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).