3-bromo-8-(4-phenyl-1,4-diazepan-1-yl)-1,5-naphthyridine

C19H19BrN4 — CID 133482284

IUPAC3-bromo-8-(4-phenyl-1,4-diazepan-1-yl)-1,5-naphthyridine
SMILESBrc1cnc2c(N3CCCN(c4ccccc4)CC3)ccnc2c1
InChIInChI=1S/C19H19BrN4/c20-15-13-17-19(22-14-15)18(7-8-21-17)24-10-4-9-23(11-12-24)16-5-2-1-3-6-16/h1-3,5-8,13-14H,4,9-12H2
InChIKeyKASOUXATIFFQTD-UHFFFAOYSA-N
MW383.29 g/mol
LogP4.11
Rot. Bonds2

About 3-bromo-8-(4-phenyl-1,4-diazepan-1-yl)-1,5-naphthyridine

3-bromo-8-(4-phenyl-1,4-diazepan-1-yl)-1,5-naphthyridine (PubChem CID 133482284) has the molecular formula C19H19BrN4 and a molecular weight of 383.29 g/mol. Its IUPAC name is 3-bromo-8-(4-phenyl-1,4-diazepan-1-yl)-1,5-naphthyridine.

Molecular Properties

Compound Name3-bromo-8-(4-phenyl-1,4-diazepan-1-yl)-1,5-naphthyridine
PubChem CID133482284
Molecular FormulaC19H19BrN4
Molecular Weight383.29 g/mol
Exact Mass382.08
IUPAC Name3-bromo-8-(4-phenyl-1,4-diazepan-1-yl)-1,5-naphthyridine
SMILESBrc1cnc2c(N3CCCN(c4ccccc4)CC3)ccnc2c1
InChIInChI=1S/C19H19BrN4/c20-15-13-17-19(22-14-15)18(7-8-21-17)24-10-4-9-23(11-12-24)16-5-2-1-3-6-16/h1-3,5-8,13-14H,4,9-12H2
InChIKeyKASOUXATIFFQTD-UHFFFAOYSA-N
XLogP4.11
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-(4-phenyl-1,4-diazepan-1-yl)-1,5-naphthyridine?
The IUPAC name of 3-bromo-8-(4-phenyl-1,4-diazepan-1-yl)-1,5-naphthyridine (CID 133482284) is 3-bromo-8-(4-phenyl-1,4-diazepan-1-yl)-1,5-naphthyridine.
What is the SMILES notation for 3-bromo-8-(4-phenyl-1,4-diazepan-1-yl)-1,5-naphthyridine?
The canonical SMILES for 3-bromo-8-(4-phenyl-1,4-diazepan-1-yl)-1,5-naphthyridine is Brc1cnc2c(N3CCCN(c4ccccc4)CC3)ccnc2c1.
What is the InChIKey of 3-bromo-8-(4-phenyl-1,4-diazepan-1-yl)-1,5-naphthyridine?
The InChIKey is KASOUXATIFFQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4/c20-15-13-17-19(22-14-15)18(7-8-21-17)24-10-4-9-23(11-12-24)16-5-2-1-3-6-16/h1-3,5-8,13-14H,4,9-12H2.
What are the key properties of 3-bromo-8-(4-phenyl-1,4-diazepan-1-yl)-1,5-naphthyridine?
3-bromo-8-(4-phenyl-1,4-diazepan-1-yl)-1,5-naphthyridine has a molecular weight of 383.29 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-(4-phenyl-1,4-diazepan-1-yl)-1,5-naphthyridine is sourced from PubChem (CID 133482284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).