5-(3-bromo-4,5-dimethoxyphenyl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine

C24H21BrN2O2 — CID 110529985

IUPAC5-(3-bromo-4,5-dimethoxyphenyl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine
SMILESCOc1cc(-c2nc3ccc4ccccc4c3c3c2CNCC3)cc(Br)c1OC
InChIInChI=1S/C24H21BrN2O2/c1-28-21-12-15(11-19(25)24(21)29-2)23-18-13-26-10-9-17(18)22-16-6-4-3-5-14(16)7-8-20(22)27-23/h3-8,11-12,26H,9-10,13H2,1-2H3
InChIKeyJCBCZHNQPQKTRZ-UHFFFAOYSA-N
MW449.35 g/mol
LogP5.48
Rot. Bonds3

About 5-(3-bromo-4,5-dimethoxyphenyl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine

5-(3-bromo-4,5-dimethoxyphenyl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine (PubChem CID 110529985) has the molecular formula C24H21BrN2O2 and a molecular weight of 449.35 g/mol. Its IUPAC name is 5-(3-bromo-4,5-dimethoxyphenyl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine.

Molecular Properties

Compound Name5-(3-bromo-4,5-dimethoxyphenyl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine
PubChem CID110529985
Molecular FormulaC24H21BrN2O2
Molecular Weight449.35 g/mol
Exact Mass448.08
IUPAC Name5-(3-bromo-4,5-dimethoxyphenyl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine
SMILESCOc1cc(-c2nc3ccc4ccccc4c3c3c2CNCC3)cc(Br)c1OC
InChIInChI=1S/C24H21BrN2O2/c1-28-21-12-15(11-19(25)24(21)29-2)23-18-13-26-10-9-17(18)22-16-6-4-3-5-14(16)7-8-20(22)27-23/h3-8,11-12,26H,9-10,13H2,1-2H3
InChIKeyJCBCZHNQPQKTRZ-UHFFFAOYSA-N
XLogP5.48
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.35
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-(3-bromo-4,5-dimethoxyphenyl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine 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

5-(3-chloro-4-ethoxy-5-methoxyphenyl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine
CID 110531335
2-bromo-4-(1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridin-5-yl)phenol
CID 136781696
5-(3-methoxy-5-nitro-4-propoxyphenyl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine
CID 110530222
5-(3,5-dichloro-4-ethoxyphenyl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine
CID 110531145
5-(4-ethoxyphenyl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine
CID 110535482
5-(3-ethoxy-4-propan-2-yloxyphenyl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine
CID 110531676
4-(1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridin-5-yl)benzoic acid
CID 110535496
5-(2-methyl-1H-indol-3-yl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine
CID 110534861
2-(1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridin-5-yl)benzoic acid
CID 110535495
5-(2,4-diethoxy-5-nitrophenyl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine
CID 110530230
2-chloro-4-(3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)-6-methoxyphenol
CID 136781639
3-ethyl-5-(4-methoxy-3-propan-2-yloxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
CID 110530940

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4,5-dimethoxyphenyl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine?
The IUPAC name of 5-(3-bromo-4,5-dimethoxyphenyl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine (CID 110529985) is 5-(3-bromo-4,5-dimethoxyphenyl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine.
What is the SMILES notation for 5-(3-bromo-4,5-dimethoxyphenyl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine?
The canonical SMILES for 5-(3-bromo-4,5-dimethoxyphenyl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine is COc1cc(-c2nc3ccc4ccccc4c3c3c2CNCC3)cc(Br)c1OC.
What is the InChIKey of 5-(3-bromo-4,5-dimethoxyphenyl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine?
The InChIKey is JCBCZHNQPQKTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN2O2/c1-28-21-12-15(11-19(25)24(21)29-2)23-18-13-26-10-9-17(18)22-16-6-4-3-5-14(16)7-8-20(22)27-23/h3-8,11-12,26H,9-10,13H2,1-2H3.
What are the key properties of 5-(3-bromo-4,5-dimethoxyphenyl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine?
5-(3-bromo-4,5-dimethoxyphenyl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine has a molecular weight of 449.35 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4,5-dimethoxyphenyl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine is sourced from PubChem (CID 110529985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).