4-bromo-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine

C18H19BrN4O — CID 68613505

IUPAC4-bromo-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine
SMILESBrc1cnc(Nc2ccc(N3CCOCC3)cc2)c2c1C=CNC2
InChIInChI=1S/C18H19BrN4O/c19-17-12-21-18(16-11-20-6-5-15(16)17)22-13-1-3-14(4-2-13)23-7-9-24-10-8-23/h1-6,12,20H,7-11H2,(H,21,22)
InChIKeyYYESUIDKBTURIY-UHFFFAOYSA-N
MW387.28 g/mol
LogP3.50
Rot. Bonds3

About 4-bromo-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine

4-bromo-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine (PubChem CID 68613505) has the molecular formula C18H19BrN4O and a molecular weight of 387.28 g/mol. Its IUPAC name is 4-bromo-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine.

Molecular Properties

Compound Name4-bromo-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine
PubChem CID68613505
Molecular FormulaC18H19BrN4O
Molecular Weight387.28 g/mol
Exact Mass386.07
IUPAC Name4-bromo-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine
SMILESBrc1cnc(Nc2ccc(N3CCOCC3)cc2)c2c1C=CNC2
InChIInChI=1S/C18H19BrN4O/c19-17-12-21-18(16-11-20-6-5-15(16)17)22-13-1-3-14(4-2-13)23-7-9-24-10-8-23/h1-6,12,20H,7-11H2,(H,21,22)
InChIKeyYYESUIDKBTURIY-UHFFFAOYSA-N
XLogP3.50
TPSA49.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-bromo-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-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

3-bromo-5-chloro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 114837087
3-(6-methoxypyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine
CID 68612814
3-N-(3-methyl-2-pyridinyl)-1-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridine-1,3-diamine
CID 141289768
5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine
CID 152621698
4-[1-(4-morpholin-4-ylanilino)-7,8-dihydro-2,7-naphthyridin-3-yl]-1,3-thiazol-2-amine
CID 87514716
5-bromo-N-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-amine
CID 64624123
5-fluoro-4-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 80811982
5-bromo-4-N-[5-(2,3-dihydrofuran-5-yl)-1H-pyrazol-3-yl]-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 71058230
4-morpholin-4-yl-N-phenylaniline
CID 159018746
N-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 993401
4-chloro-6-(4-morpholin-4-ylanilino)pyrimidine-5-carbonitrile
CID 87644759
N-(4-morpholin-4-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 90104809

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine?
The IUPAC name of 4-bromo-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine (CID 68613505) is 4-bromo-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine.
What is the SMILES notation for 4-bromo-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine?
The canonical SMILES for 4-bromo-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine is Brc1cnc(Nc2ccc(N3CCOCC3)cc2)c2c1C=CNC2.
What is the InChIKey of 4-bromo-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine?
The InChIKey is YYESUIDKBTURIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O/c19-17-12-21-18(16-11-20-6-5-15(16)17)22-13-1-3-14(4-2-13)23-7-9-24-10-8-23/h1-6,12,20H,7-11H2,(H,21,22).
What are the key properties of 4-bromo-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine?
4-bromo-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine has a molecular weight of 387.28 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine is sourced from PubChem (CID 68613505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).