4-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2,6-bis(diethylaminomethyl)phenol

C24H32BrN5O — CID 135514612

IUPAC4-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2,6-bis(diethylaminomethyl)phenol
SMILESCCN(CC)Cc1cc(Nc2ccnc3cc(Br)cnc23)cc(CN(CC)CC)c1O
InChIInChI=1S/C24H32BrN5O/c1-5-29(6-2)15-17-11-20(12-18(24(17)31)16-30(7-3)8-4)28-21-9-10-26-22-13-19(25)14-27-23(21)22/h9-14,31H,5-8,15-16H2,1-4H3,(H,26,28)
InChIKeyDOOGNRKMBHZHFS-UHFFFAOYSA-N
MW486.46 g/mol
LogP5.53
Rot. Bonds10

About 4-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2,6-bis(diethylaminomethyl)phenol

4-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2,6-bis(diethylaminomethyl)phenol (PubChem CID 135514612) has the molecular formula C24H32BrN5O and a molecular weight of 486.46 g/mol. Its IUPAC name is 4-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2,6-bis(diethylaminomethyl)phenol.

Molecular Properties

Compound Name4-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2,6-bis(diethylaminomethyl)phenol
PubChem CID135514612
Molecular FormulaC24H32BrN5O
Molecular Weight486.46 g/mol
Exact Mass485.18
IUPAC Name4-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2,6-bis(diethylaminomethyl)phenol
SMILESCCN(CC)Cc1cc(Nc2ccnc3cc(Br)cnc23)cc(CN(CC)CC)c1O
InChIInChI=1S/C24H32BrN5O/c1-5-29(6-2)15-17-11-20(12-18(24(17)31)16-30(7-3)8-4)28-21-9-10-26-22-13-19(25)14-27-23(21)22/h9-14,31H,5-8,15-16H2,1-4H3,(H,26,28)
InChIKeyDOOGNRKMBHZHFS-UHFFFAOYSA-N
XLogP5.53
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.46
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2,6-bis(diethylaminomethyl)phenol?
The IUPAC name of 4-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2,6-bis(diethylaminomethyl)phenol (CID 135514612) is 4-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2,6-bis(diethylaminomethyl)phenol.
What is the SMILES notation for 4-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2,6-bis(diethylaminomethyl)phenol?
The canonical SMILES for 4-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2,6-bis(diethylaminomethyl)phenol is CCN(CC)Cc1cc(Nc2ccnc3cc(Br)cnc23)cc(CN(CC)CC)c1O.
What is the InChIKey of 4-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2,6-bis(diethylaminomethyl)phenol?
The InChIKey is DOOGNRKMBHZHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32BrN5O/c1-5-29(6-2)15-17-11-20(12-18(24(17)31)16-30(7-3)8-4)28-21-9-10-26-22-13-19(25)14-27-23(21)22/h9-14,31H,5-8,15-16H2,1-4H3,(H,26,28).
What are the key properties of 4-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2,6-bis(diethylaminomethyl)phenol?
4-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2,6-bis(diethylaminomethyl)phenol has a molecular weight of 486.46 g/mol, XLogP of 5.53, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2,6-bis(diethylaminomethyl)phenol is sourced from PubChem (CID 135514612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).